2-[(8-Chloro-1-naphthalenyl)thio]acetic acid
Properties
- Molecular formula
- C12H9ClO2S
- Molar mass
- 252.71 g/mol
- Exact mass
- 252.0012 Da
- Melting point
- 159–160 °C
- logP
- 3.67Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
129-94-2SMILES
O=C(O)CSc1cccc2cccc(Cl)c12InChIKey
WPNAGQJVWAFQJV-UHFFFAOYSA-NInChI
InChI=1S/C12H9ClO2S/c13-9-5-1-3-8-4-2-6-10(12(8)9)16-7-11(14)15/h1-6H,7H2,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- (8-Chloro-1-naphthylthio)acetic acid
- 2-(8-Chloronaphthalen-1-yl)sulfanylacetic acid
- 2-[(8-Chloro-1-naphthyl)thio]acetic acid
- 2-[(8-Chloronaphthalen-1-yl)sulfanyl]acetic acid
- Acetic acid, 2-[(8-chloro-1-naphthalenyl)thio]-
- Acetic acid, [(8-chloro-1-naphthyl)thio]-
- Acetic acid, [(8-chloro-1-naphthalenyl)thio]-