2-Methyl-1,2-benzisothiazolin-3-one

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Purity: 95%
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Loading RDKit molecule structure...

InChIKey: RDWXSJCICPOOKO-UHFFFAOYSA-NC8H7NOS | MW 165.21

Chemical Absolute Identifiers

CAS Number

2527-66-4

PubChem CID

351236

Molecular Formula

C8H7NOS

Molecular Weight

165.21 g/mol

Exact Mass

165.024835

InChIKey

RDWXSJCICPOOKO-UHFFFAOYSA-N

IUPAC Name

2-methyl-1,2-benzothiazol-3-one

SMILES String

CN1C(=O)C2=CC=CC=C2S1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

2-Methyl-1,2-benzisothiazolin-3-one (CAS 2527-66-4) is listed in the Advanced Chemicals portfolio, with molecular formula C8H7NOS and molecular weight 165. 21 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building Blocks Synthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Biological target reference

ChEMBL reports experimental activity evidence for: Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium berghei) — 3 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase

Plasmodium berghei · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.24

Experimental evidence source: ChEMBL

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Show additional safety reference fields

Fire Fighting

If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

Use personal protective equipment and emergency procedures.
Avoid dust generation.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

2-Methyl-1,2-benzisothiazolin-3-one

Names & Synonyms

2-Methyl-1,2-benzothiazol-3(2h)-one2-Methylbenzo[d]isothiazol-3(2H)-one2-Methyl-1,2-benzoisothiazolin-3-one2-methyl-1,2-benzisothiazol-3(2H)-oneMbit

Show all synonyms

1,2-benzisothiazol-3(2H)-one, 2-methyl-2-methyl-2,3-dihydro-1,2-benzothiazol-3-onecid_351236n-methyl-1,2-benzisothiazolin-3-oneInChI=1/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H

External Identifiers

EC NUMBER: 695-989-4DSSTOX SUBSTANCE ID: DTXSID00325841CHEMBL ID: CHEMBL1710047UNII: 81PV9X5Y68WIKIDATA ID: Q27269263

Experimental Spectrum References

13C NMR Spectra 1D NMR Spectra

Literature & Patent References

DOI 10.1021/acs.jmedchem.1c00409Perspectives on SARS-CoV-2 Main Protease Inhibitors.PMID 34798775Perspectives on SARS-CoV-2 Main Protease Inhibitors.DOI 10.1021/acs.jmedchem.9b01679Benzisothiazolinone Derivatives as Potent Allosteric Monoacylglycerol Lipase Inhibitors That Functionally Mimic Sulfenylation of Regulatory Cysteines.PMID 31714779Benzisothiazolinone Derivatives as Potent Allosteric Monoacylglycerol Lipase Inhibitors That Functionally Mimic Sulfenylation of Regulatory Cysteines.DOI 10.1016/j.bmc.2013.03.075Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors.PMID 23632366Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

2-Butyl-2,3-dihydrobenzisothiazol-3-oneCAS 4299-07-4

2-phenyl-1,2-benzisothiazol-3-(2H)-oneCAS 2527-03-9

2-(4-(Dimethylamino)phenyl)benzo[d]isothiazol-3(2H)-oneCAS 106595-93-1

2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-oneCAS 877963-94-5

2-Methyl-4-isothiazolin-3-one hydrochlorideCAS 26172-54-3

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 4299-07-42-Butyl-2,3-dihydrobenzisothiazol-3-one CAS 2527-03-92-phenyl-1,2-benzisothiazol-3-(2H)-one CAS 106595-93-12-(4-(Dimethylamino)phenyl)benzo[d]isothiazol-3(2H)-one CAS 159803-11-96-Fluoro-1,2-benzothiazol-3(2H)-one CAS 17057-07-73-(2,5-Dihydro-2,5-dioxo(1H)-pyrrole-1-yl)benzoic acid CAS 2127-03-92,2'-Dipyridyl disulfide CAS 60940-34-3Ebselen CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate CAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acid CAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 2527-66-4

What are the key identifiers for 2-Methyl-1,2-benzisothiazolin-3-one (CAS 2527-66-4)?

2-Methyl-1,2-benzisothiazolin-3-one is identified by CAS 2527-66-4, with molecular formula C8H7NOS, molecular weight 165.21, InChIKey RDWXSJCICPOOKO-UHFFFAOYSA-N.

Does CAS 2527-66-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 2527-66-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 2-Methyl-1,2-benzisothiazolin-3-one?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 2527-66-4 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.

Catalog Facts

Structural features

2-Methyl-1,2-benzisothiazolin-3-one (CAS 2527-66-4) is listed in the Advanced Chemicals portfolio, with molecular formula C8H7NOS and molecular weight 165. 21 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Biological target reference

Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase

Plasmodium berghei · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.24

Experimental evidence source: ChEMBL

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Show additional safety reference fields

Fire Fighting

If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

Use personal protective equipment and emergency procedures.
Avoid dust generation.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

Text Reference Cues

Show non-linked catalog cues

Non-public related references

2-Butyl-2,3-dihydrobenzisothiazol-3-oneCAS 4299-07-4

2-phenyl-1,2-benzisothiazol-3-(2H)-oneCAS 2527-03-9

2-(4-(Dimethylamino)phenyl)benzo[d]isothiazol-3(2H)-oneCAS 106595-93-1

2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-oneCAS 877963-94-5

2-Methyl-4-isothiazolin-3-one hydrochlorideCAS 26172-54-3

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

RFQ questions for CAS 2527-66-4

What are the key identifiers for 2-Methyl-1,2-benzisothiazolin-3-one (CAS 2527-66-4)?

2-Methyl-1,2-benzisothiazolin-3-one is identified by CAS 2527-66-4, with molecular formula C8H7NOS, molecular weight 165.21, InChIKey RDWXSJCICPOOKO-UHFFFAOYSA-N.

Does CAS 2527-66-4 have reported biological target evidence?

Can I request a COA for CAS 2527-66-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 2-Methyl-1,2-benzisothiazolin-3-one?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 2527-66-4 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.

Sourcing & RFQ

Available Options

Chemical Absolute Identifiers

Physical Properties

Catalog Facts

Applications & Classification

Safety & Handling

Handling & Storage

First Aid

Fire Fighting

Accidental Release

Related Catalog Entries

RFQ questions for CAS 2527-66-4

2-Methyl-1,2-benzisothiazolin-3-one

Sourcing & RFQ

Available Options

Chemical Absolute Identifiers

Physical Properties

Catalog Facts

Applications & Classification

Safety & Handling

Handling & Storage

First Aid

Fire Fighting

Accidental Release

Related Catalog Entries

RFQ questions for CAS 2527-66-4