Primary record
AC1OLR88
- CAS
- 124815-67-4
- PubChem CID
- 7408367
- SMILES
- CC(=O)SC[C@@H](CC1=CC=CC=C1)C(=O)O
- Molecular Formula
- C12H14O3S
- Molecular Weight
- 238.308
- Exact Mass
- 238.0664
- InChI
- InChI=1S/C12H14O3S/c1-9(13)16-8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)/t11-/m1/s1
- InChIKey
- BCAAXVOKLXDSPD-LLVKDONJSA-N
- LogP
- 2.2096
- TPSA
- 54.37
Names and synonyms
- AC1OLR88
- SCHEMBL838961
- BCAAXVOKLXDSPD-LLVKDONJSA-N
- ZINC4899636
- CID7408367
- (S)-3-(Acetylthio)-2-benzylpropanoic acid
- (S)-2-acetylthiomethyl-3-phenylpropanoic acid
- 2-(acetylsulfanylmethyl)-3-phenyl-propanoic Acid
- (2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
- 124815-67-4