CAS: 91702-98-6
الاسم: 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
SMILES:
CC(=O)SCC(CC1=CC=CC=C1)C(=O)OMolecular Processing
Molecular formula
C12H14O3S
Molecular weight
238.31
Exact mass
238.0664
XLogP
2.21
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
64.41
Supplementary Information
InChIKey: BCAAXVOKLXDSPD-UHFFFAOYSA-N
مرادفات
91702-98-62-[(Acetylthio)methyl]-3-phenylpropionic Acid2-((acetylthio)methyl)-3-phenylpropionic acidRefChem:449783677-137-380969-99-93-ACETYLTHIO-2-BENZYLPROPANIC ACID3-(acetylsulfanyl)-2-benzylpropanoic acid3-(Acetylthio)-2-benzylpropanoic acid3-(Acetylthio)-2-benzylpropionic Acid2-[(Acetylthio)methyl]-3-phenylpropanoic acidC12H14O3S2-(acetylsulfanylmethyl)-3-phenylpropanoic acidMFCD00236751(RS)-2-Acetylsulfanylmethyl-3-phenyl-propionic acid3-acetylthio-2-benzylpropanoic acid(R)-alpha-[(Acetylthio)methyl]benzenepropanoicAcid(R)-alpha-[(Acetylthio)methyl]benzenepropanoic AcidSCHEMBL8389623-acetylthio2-benzylpropionic acid3-acetylthio-2-benzylpropionic acidSTR09833AKOS025402022AC-3067PS-39642-acetylthiomethyl-3-phenylpropanoic acid2-Acetylthiomethyl-3-phenylpropionic acid2-acetylthiomethyl-3-phenyl propionic acid2-acetylthiomethyl-3-phenyl-propionic acid2-(acetylthiomethyl)-3-phenylpropionic acid
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