3-(Methylthio)benzoic acid
CAS Registry Number®
825-99-0
CAS Name
3-(Methylthio)benzoic acidMolecular Formula
C8H8O2SMolecular Mass
168.21Cite this Page
3-(Methylthio)benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=825-99-0 (retrieved ) (CAS RN: 825-99-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
126-127 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
InChIKey=PZGADOOBMVLBJE-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC(SC)=CC=C1
Canonical SMILES
O=C(O)C=1C=CC=C(SC)C1
Other Names for this Substance
- Benzoic acid, 3-(methylthio)-
- Benzoic acid, m-(methylthio)-
- Benzoic acid, m-methylmercapto-
- 3-(Methylthio)benzoic acid
- 3-Mercaptobenzoic acid S-methyl ether
