Ethanethioic acid, S-[(1H-1,2,3-triazol-4-ylthio)methyl] ester

Base Information

• Chemical Name: Ethanethioic acid, S-[(1H-1,2,3-triazol-4-ylthio)methyl] ester
• CAS No.: 140128-01-4
• Molecular Formula: C5H7N3OS2
• DSSTox Substance ID: DTXSID50439942

Synonyms:140128-01-4;S-(((1H-1,2,3-Triazol-4-yl)thio)methyl) ethanethioate;Ethanethioic acid, S-[(1H-1,2,3-triazol-4-ylthio)methyl] ester;SCHEMBL8443360;DTXSID50439942;SHWXDEZMFCXAKD-UHFFFAOYSA-N;4-acetylthiomethylthio-1,2,3-triazole

Chemical Property of Ethanethioic acid, S-[(1H-1,2,3-triazol-4-ylthio)methyl] ester

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 189.00305420
• Heavy Atom Count: 11
• Complexity: 144

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCSC1=NNN=C1

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