C(CS)C(=O)O
CAS: 107-96-0
Name: 3-sulfanylpropanoic acid
SMILES: C(CS)C(=O)O

Molecular Processing

Molecular formula
C3H6O2S
Molecular weight
106.15
Exact mass
106.0089
XLogP
0.39
TPSA
37.3
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
26.11

Supplementary Information

InChIKey: DKIDEFUBRARXTE-UHFFFAOYSA-N
Synonyme
3-MERCAPTOPROPIONIC ACID3-Mercaptopropanoic acid107-96-03-Sulfanylpropanoic acid3-Thiopropanoic acid3-Thiopropionic acidbeta-Mercaptopropionic acidPropanoic acid, 3-mercapto-3MPA2-Mercaptoethanecarboxylic acidbeta-Thiopropionic acidThiohydracrylic acidbeta-Mercaptopropanoic acidDTXSID8026775Propionic acid, 3-mercpato-3 Mercaptopropionic AcidB03TJ3QU9MNSC-437DTXCID106775FEMA NO. 4587CHEBI:441113 Mercaptopropanoic AcidAcid, 3-MercaptopropanoicAcid, 3-MercaptopropionicRefChem:502934203-537-0Mercaptopropionic acidHydracrylic acid, 3-thio-Propionic acid, 3-mercapto-NSC 437
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