Molecular Identity
(Methylthio)acetic acid
2-methylsulfanylacetic acid
PubChem CID: 75551
(methylthio)acetic acid is a sulfur-containing carboxylic consisting of thioglycolic acid carrying an S-methyl substituent. It has a role as a xenobiotic metabolite. It is a monocarboxylic acid, a sulfur-containing carboxylic acid and a methyl sulfide. It is functionally related to a thioglycolic acid. It is a conjugate acid of a (methylthio)acetate.
2D Structure
Properties
C3H6O2S
Molecular Formula
106.15
Molecular Weight
g/mol
106.0089
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
62.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
52
Complexity
SMILES
Canonical SMILES
SMILES: CSCC(=O)OIsomeric SMILES
SMILES: CSCC(=O)OSynonyms(20)
(Methylthio)acetic acid2444-37-32-methylsulfanylacetic acid(Methylsulfanyl)acetic acidUMV7E1UCUXNSC-263480CHEBI:47870DTXSID10179195ACETIC ACID, 2-(METHYLTHIO)-RefChem:406621DTXCID40101686219-483-62-(methylthio)acetic acidAcetic acid, (methylthio)-2-(methylsulfanyl)acetic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (Methylthio)acetic acid
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