CAS Registry Number®
87776-75-8
CAS Name
3-Chloro-4-(methylthio)benzeneacetic acid
Molecular Formula
C9H9ClO2S
Molecular Mass
216.68
Compound Properties
-
Melting Point (1)
105.6-108.4 °C
Source(s)
- (1) Sarabu, Ramakanth; Journal of Medicinal Chemistry, (2012), 55(16), 7021-7036, CAplus
Other Names and Identifiers
InChI
InChI=1S/C9H9ClO2S/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
InChIKey=RUUPIFBYMDGMPN-UHFFFAOYSA-N
SMILES
S(C)C1=C(Cl)C=C(CC(O)=O)C=C1
Canonical SMILES
O=C(O)CC1=CC=C(SC)C(Cl)=C1
Other Names for this Substance
- Benzeneacetic acid, 3-chloro-4-(methylthio)-
- 3-Chloro-4-(methylthio)benzeneacetic acid
- (3-Chloro-4-methylsulfanylphenyl)acetic acid
- 3-Chloro-4-methylthiophenylacetic acid
- 2-[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid
