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Home/Compounds/CAS 505-44-2
Formula C5H9NOS2MW 163.3Research-use catalog entryCOA/SDS by request

Iberin

CAS Number: 505-44-2

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Loading RDKit molecule structure...
InChIKey: LELAOEBVZLPXAZ-UHFFFAOYSA-NC5H9NOS2 | MW 163.3

Chemical Absolute Identifiers

CAS Number

505-44-2

PubChem CID

10455

Molecular Formula

C5H9NOS2

Molecular Weight

163.3 g/mol

Exact Mass

163.012556

InChIKey

LELAOEBVZLPXAZ-UHFFFAOYSA-N

IUPAC Name

1-isothiocyanato-3-methylsulfinylpropane

SMILES String

CS(=O)CCCN=C=S

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

Iberin (CAS 505-44-2) is listed in the Advanced Chemicals portfolio, with molecular formula C5H9NOS2 and molecular weight 163. 30 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

Safety & Handling

Safety and handling reference content is available through documentation requests.

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

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Iberin

Names & Synonyms

1-Isothiocyanato-3-(methylsulfinyl)propane3-Methylsulfinylpropyl isothiocyanateIMSPPropane, 1-isothiocyanato-3-(methylsulfinyl)-1-isothiocyanato-3-(methylsulphinyl)propane
Show all synonyms
3-Methylsulphinylpropylisothiocyanate1-isothiocyanato-3-methanesulfinylpropane3-isothiocyanatopropyl methyl sulfoxideMETHYLSULFINYLPROPYLISOTHIOCYANATEISOTHIOCYANIC ACID, 3-(METHYLSULFINYL)PROPYL ESTERIberin?1-isothiocyanato-3-methylsulfinyl-propane3-Methylsulfinyl propyl isothiocyanate1-Isothiocyanato-3-(methylsulfinyl)propane #
External Identifiers
EC NUMBER: 852-635-5DSSTOX SUBSTANCE ID: DTXSID301339465CHEMBL ID: CHEMBL4067519CHEBI ID: CHEBI:89494UNII: RZ680L4LP3HMDB ID: HMDB0006095METABOLOMICS WORKBENCH ID: 38819WIKIDATA ID: Q27161686
Literature & Patent References
DOI 10.1016/j.ejmech.2025.117469Exploring the broad-spectrum activity of carbohydrate-based Iberin analogues: From anticancer effect to antioxidant properties.PMID 40058183Exploring the broad-spectrum activity of carbohydrate-based Iberin analogues: From anticancer effect to antioxidant properties.DOI 10.1016/j.bmc.2018.12.026Discovery of a crystalline sulforaphane analog with good solid-state stability and engagement of the Nrf2 pathway in vitro and in vivo.PMID 30626555Discovery of a crystalline sulforaphane analog with good solid-state stability and engagement of the Nrf2 pathway in vitro and in vivo.DOI 10.1021/acs.jmedchem.6b01025Disulfide Bond-Containing Ajoene Analogues As Novel Quorum Sensing Inhibitors of Pseudomonas aeruginosa.PMID 27977197Disulfide Bond-Containing Ajoene Analogues As Novel Quorum Sensing Inhibitors of Pseudomonas aeruginosa.

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

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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

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Non-public related references

1-Isothiocyanato-4-((R)-Methylsulfinyl)ButaneCAS 142825-10-3
4-(Methylsulfinyl)butanenitrileCAS 61121-65-1
1-(Methylsulphinyl)dodecaneCAS 3079-30-9
N-acetylmethionine sulfoxideCAS 3054-51-1
Dodecyl sulfoxideCAS 2168-96-9

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 142825-10-31-Isothiocyanato-4-((R)-Methylsulfinyl)ButaneCAS 61121-65-14-(Methylsulfinyl)butanenitrileCAS 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 505-44-2

What are the key identifiers for Iberin (CAS 505-44-2)?

Iberin is identified by CAS 505-44-2, with molecular formula C5H9NOS2, molecular weight 163.3, InChIKey LELAOEBVZLPXAZ-UHFFFAOYSA-N.

Can I request a COA for CAS 505-44-2?

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

Can I request supplier SDS for Iberin?

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

Is CAS 505-44-2 available for quotation?

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