C(CC(=O)O)CS
CAS: 13095-73-3
Название: 4-sulfanylbutanoic acid
SMILES: C(CC(=O)O)CS

Molecular Processing

Molecular formula
C4H8O2S
Molecular weight
120.17
Exact mass
120.0245
XLogP
0.78
TPSA
37.3
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
7
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
0.75
Molar refractivity
30.72

Supplementary Information

InChIKey: DTRIDVOOPAQEEL-UHFFFAOYSA-N
Синонимы
4-Mercaptobutyric acid13095-73-3Butanoic acid, 4-mercapto-4-Mercaptobutanoic acidgamma-Mercaptobutyric acidH83ZE7K3VUDTXSID5065350RefChem:571566DTXCID6034003236-013-54-sulfanylbutanoic acid4-Mercaptobutyric acid, technical gradeMFCD000538424-Thiobutyric AcidCHEMBL1076479GMBAEINECS 236-013-5BRN 07738633-Mercaptomethyl propionic acidBUTYRIC ACID, 4-MERCAPTO-4-Mercaptobutanoicacid4-sulfanylbutyric aciddelta-Mercaptobutyricacidgamma-sulfanylbutyric acidgamma-mercaptobutanoic acidSCHEMBL375294-03-00-00777 (Beilstein Handbook Reference)SCHEMBL967584SCHEMBL9308672SCHEMBL28628136
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