4-Phenylbut-3-yne-2-thione

Base Information

• Chemical Name: 4-Phenylbut-3-yne-2-thione
• CAS No.: 67685-57-8
• Molecular Formula: C10H8S
• DSSTox Substance ID: DTXSID80498486
• Wikidata: Q82348569
• Mol file: 67685-57-8.mol

Synonyms:4-Phenylbut-3-yne-2-thione;67685-57-8;DTXSID80498486

Chemical Property of 4-Phenylbut-3-yne-2-thione

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.03467143
• Heavy Atom Count: 11
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=S)C#CC1=CC=CC=C1