Molecular Identity
Sulfoacetic acid
2-sulfoacetic acid
PubChem CID: 31257
Sulfoacetic acid is a carboxyalkanesulfonic acid that is the C-sulfo derivative of acetic acid. It has a role as an Escherichia coli metabolite. It is functionally related to an acetic acid. It is a conjugate acid of a sulfonatoacetate.
2D Structure
Properties
C2H4O5S
Molecular Formula
140.12
Molecular Weight
g/mol
139.9779
Exact Mass
Da
-1.3
XLogP
Drug-like (Lipinski: < 5)
100
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
171
Complexity
SMILES
Canonical SMILES
SMILES: C(C(=O)O)S(=O)(=O)OIsomeric SMILES
SMILES: C(C(=O)O)S(=O)(=O)OSynonyms(20)
SULFOACETIC ACID2-sulfoacetic acid123-43-3Acetic acid, sulfo-Acetic acid, 2-sulfo-Sulfoethanoic acidSulphoacetic acidKyselina sulfooctovaKyselina sulfooctova [Czech]HSDB 2706EINECS 204-627-2BRN 1764390AI3-28536Y4XC05H603DTXSID8059556
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sulfoacetic acid
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