S-prop-2-ynyl ethanethioate

Base Information

• Chemical Name: S-prop-2-ynyl ethanethioate
• CAS No.: 13702-10-8
• Molecular Formula: C5H6OS
• Molecular Weight: 114.168
• European Community (EC) Number: 840-162-7
• DSSTox Substance ID: DTXSID20446300
• Nikkaji Number: J854.747E
• Wikidata: Q82264916
• Mol file: 13702-10-8.mol

Synonyms:S-prop-2-ynyl ethanethioate;13702-10-8;Ethanethioic acid, S-2-propynyl ester;Ethanethioic acid, S-2-propyn-1-yl ester;SCHEMBL19712055;DTXSID20446300;Thioacetic acid S-propargyl ester;AT19938;1-(prop-2-yn-1-ylsulfanyl)ethan-1-one;S-(PROP-2-YN-1-YL) ETHANETHIOATE;EN300-396070

Chemical Property of S-prop-2-ynyl ethanethioate

Chemical Property:

• PSA: 42.37000
• LogP: 0.89930
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 114.01393598
• Heavy Atom Count: 7
• Complexity: 109

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCC#C