Trichloroethanethioic S-acid

Base Information

• Chemical Name: Trichloroethanethioic S-acid
• CAS No.: 13101-29-6
• Molecular Formula: C₂HCl₃OS
• Molecular Weight: 179.454
• DSSTox Substance ID: DTXSID60591065
• Nikkaji Number: J1.127.819A
• Wikidata: Q82484717

Synonyms:Trichloroethanethioic S-acid;13101-29-6;SCHEMBL6729186;DTXSID60591065

Chemical Property of Trichloroethanethioic S-acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 177.881369
• Heavy Atom Count: 7
• Complexity: 85.4

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(Cl)(Cl)Cl)S

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