3-Oxobutanethioamide

Base Information

• Chemical Name: 3-Oxobutanethioamide
• CAS No.: 341007-59-8
• Molecular Formula: C4H7 N O S
• Molecular Weight: 117.16948
• DSSTox Substance ID: DTXSID00515003
• Wikidata: Q82375652
• Mol file: 341007-59-8.mol

Synonyms:3-Oxobutanethioamide;341007-59-8;SCHEMBL3071003;SCHEMBL18930124;DTXSID00515003

Chemical Property of 3-Oxobutanethioamide

Chemical Property:

• PSA: 79.72000
• LogP: 0.97230
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 117.02483502
• Heavy Atom Count: 7
• Complexity: 99.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=S)N