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Home/Compounds/CAS 2253-73-8
Formula C4H7NSMW 101.17Research-use catalog entryCOA/SDS by request

Isopropyl Isothiocyanate

CAS Number: 2253-73-8

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Available Options

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10 g
Purity
98%
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Loading RDKit molecule structure...
InChIKey: VHBFEIBMZHEWSX-UHFFFAOYSA-NC4H7NS | MW 101.17

Chemical Absolute Identifiers

CAS Number

2253-73-8

PubChem CID

75263

Molecular Formula

C4H7NS

Molecular Weight

101.17 g/mol

Exact Mass

101.02992

InChIKey

VHBFEIBMZHEWSX-UHFFFAOYSA-N

IUPAC Name

2-isothiocyanatopropane

SMILES String

CC(C)N=C=S

Physical Properties

Boiling Point

68–7 °C

Density

0.947 g/cm³

Show more physical data

Refractive Index

1.489

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

Catalog Facts

Structural features

Isopropyl Isothiocyanate (CAS 2253-73-8) is listed in the Advanced Chemicals portfolio, with molecular formula C4H7NS and molecular weight 101. 17 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.

Documentation needs

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

Applications & Classification

Organic Building BlocksSynthetic 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: Transient receptor potential cation channel subfamily A member 1 (Homo sapiens) — 2 assays; Transient receptor potential cation channel subfamily V member 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Transient receptor potential cation channel subfamily A member 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.28

Experimental evidence source: ChEMBL

Transient receptor potential cation channel subfamily V member 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

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

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

  • Reactivity.
  • Carbon monoxide, carbon dioxide, nitrogen oxides, sulfur oxides.

Disposal

  • Waste product.
  • Dispose of remaining and non-recyclable solutions to a licensed company.
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Fire Fighting

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

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

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

Isopropyl Isothiocyanate

Names & Synonyms

PutranjivineFEMA NO. 4425isopropylisothiocyanatePropane, 2-isothiocyanato-Isothiocyanic Acid Isopropyl Ester
Show all synonyms
Isothiocyanic acid, isopropyl esterPUTRANJIVINiso-propylisothiocyanateiso-propyl isothiocyanate2-Isothiocyanatopropane #2-PROPYL ISOTHIOCYANATEISOPROPYL ISOTHIOCYANATE [FHFI]I0520InChI=1/C4H7NS/c1-4(2)5-3-6/h4H,1-2H
External Identifiers
EC NUMBER: 218-851-3DSSTOX SUBSTANCE ID: DTXSID60177045CHEMBL ID: CHEMBL2208211UNII: 46561PKP9THMDB ID: HMDB0303243METABOLOMICS WORKBENCH ID: 127286WIKIDATA ID: Q27258900propan-2-isothiocyanate
Experimental Spectrum References
13C NMR Spectra1D NMR SpectraATR-IR SpectraFTIR Spectra — Sigma-Aldrich Co. LLC.
Literature & Patent References
DOI 10.1021/acs.jnatprod.5b00272Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.PMID 26263397Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard.DOI 10.1021/np300244qAntimutagenic thio compounds from Sisymbrium officinale.PMID 23193942Antimutagenic thio compounds from Sisymbrium officinale.DOI 10.1016/j.cropro.2010.09.004Nematicidal efficacy of isothiocyanates against root-knot nematode Meloidogyne javanica in cucumber

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

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

Text Reference Cues

Show non-linked catalog cues

Non-public related references

Ethyl isothiocyanateCAS 542-85-8
2-Isothiocyanato-1,3-bis(propan-2-yl)benzeneCAS 25343-70-8
2-Methoxyethyl isothiocyanateCAS 38663-85-3
Heptane, 1-isothiocyanato-CAS 4426-83-9
3,5-Dimethylphenyl IsothiocyanateCAS 40046-30-8

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

Catalog navigation

Related Catalog Entries

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

CAS 1170613-55-4A-967079CAS 2468-21-5(+)-CatharanthineCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 2253-73-8

What are the key identifiers for Isopropyl Isothiocyanate (CAS 2253-73-8)?

Isopropyl Isothiocyanate is identified by CAS 2253-73-8, with molecular formula C4H7NS, molecular weight 101.17, InChIKey VHBFEIBMZHEWSX-UHFFFAOYSA-N.

Does CAS 2253-73-8 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily V member 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 2253-73-8?

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

Can I request supplier SDS for Isopropyl Isothiocyanate?

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

Is CAS 2253-73-8 available for quotation?

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

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