CC(=O)SCCC(=O)O
CAS: 41345-70-4
Name: 3-acetylsulfanylpropanoic acid
SMILES: CC(=O)SCCC(=O)O

Molecular Processing

Molecular formula
C5H8O3S
Molecular weight
148.18
Exact mass
148.0194
XLogP
0.74
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
35.39

Supplementary Information

InChIKey: AYQXANXXZYKTDL-UHFFFAOYSA-N
Synonyme
3-(Acetylthio)propionic acidRefChem:493982625-859-441345-70-43-(acetylthio)propanoic acid3-acetylsulfanylpropanoic acid3-(acetylsulfanyl)propanoic acidpropanoic acid, 3-(acetylthio)-MFCD062084183-(ACETYLTHIO)PROPIONICACIDb-acetylthiopropionic acid3-(acetylthio)propanoicacidSCHEMBL668605DTXSID70294439AYQXANXXZYKTDL-UHFFFAOYSA-NNSC966533-(Acetylthio)propionic acid, 96%NSC-96653AKOS006222340AS-59456BP-31057SY198295A3134EN300-206926N12196F797308Q63391964InChI=1/C5H8O3S/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3,(H,7,8
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