Butanethioic acid, 3-methyl-

Base Information

• Chemical Name: Butanethioic acid, 3-methyl-
• CAS No.: 60681-87-0
• Molecular Formula: C5H10OS
• Molecular Weight: 118.2
• DSSTox Substance ID: DTXSID60483875
• Nikkaji Number: J1.049.045F

Synonyms:Butanethioic acid, 3-methyl-;thioisovaleric acid;60681-87-0;isopropyl-thio-acetic acid;SCHEMBL3088792;DTXSID60483875;OMRJSCBKLPEXFV-UHFFFAOYSA-N

Chemical Property of Butanethioic acid, 3-methyl-

Chemical Property:

• PSA: 55.87000
• LogP: 1.48890
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.04523611
• Heavy Atom Count: 7
• Complexity: 68.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)S

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