3-[(2-Oxopropyl)sulfanyl]-5-sulfanylidene-2,5-dihydro-1,2-thiazole-4-carbonitrile

Base Information

• Chemical Name: 3-[(2-Oxopropyl)sulfanyl]-5-sulfanylidene-2,5-dihydro-1,2-thiazole-4-carbonitrile
• CAS No.: 88518-72-3
• Molecular Formula: C7H6N2OS3
• DSSTox Substance ID: DTXSID10518404
• Wikidata: Q82381078

Synonyms:88518-72-3;DTXSID10518404;3-[(2-Oxopropyl)sulfanyl]-5-sulfanylidene-2,5-dihydro-1,2-thiazole-4-carbonitrile;3-Acetonylthio-4 cyan-2 H-isothiazol-5-thion

Chemical Property of 3-[(2-Oxopropyl)sulfanyl]-5-sulfanylidene-2,5-dihydro-1,2-thiazole-4-carbonitrile

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 229.96422634
• Heavy Atom Count: 13
• Complexity: 339

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CSC1=C(C(=S)SN1)C#N

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