CAS Registry Number: 155378-75-9

Name:

2-​Propenoic acid, 3-​(4-​mercaptophenyl)​-​, (2E)​-
2-​Propenoic acid, 3-​(4-​mercaptophenyl)​-​, (E)​-; trans-​4-​Mercaptocinnamic acid 

Chemical Formula: C9H8O2S
Exact Mass: 180.02
Molecular Weight: 180.22
m/z: 180.02 (100.0%), 181.03 (9.9%), 182.02 (4.5%)
Elemental Analysis: C, 59.98; H, 4.47; O, 17.76; S, 17.79

InChI: InChI=1S/C9H8O2S/c10-9(11)6-3-7-1-4-8(12)5-2-7/h1-6,12H,(H,10,11)
InChIKey: SLKXZKKNPSNVQO-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C=CC(=O)O)S

Specification

98%

PCT Int. Appl. (2011), WO 2011103189 A1 20110825.

PCT Int. Appl. (2003), WO 2003074083 A1 20030912.