Basic information
- Name:
Benzenamine,4-[(4-chlorophenyl)thio]-
- Superlist Name:
- 4-Amino-4'-chlorodiphenyl sulfide
- CAS No.:
32631-29-1
- Molecular Structure:
![Molecular Structure of 32631-29-1 (Benzenamine,4-[(4-chlorophenyl)thio]-)](http://www.lookchem.com/300w/2010/079/32631-29-1.jpg)
- Formula:
- C12H10ClNS
- Molecular Weight:
- 235.73
- Synonyms:
- Aniline,p-[(p-chlorophenyl)thio]- (6CI,8CI);4-(4-Chlorophenylsulfanyl)aniline;4-(4-Chlorophenylsulfanyl)phenylamine;4-(4-Chlorophenylthio)aniline;4-Amino-4'-chlorodiphenyl sulfide;p-Aminophenyl p-chlorophenyl sulfide;p-[(p-Chlorophenyl)thio]aniline;p-[(p-Chlorophenyl)thio]benzenamine;
- Density:
- 1.31 g/cm3
- Boiling Point:
- 420.1 °C at 760 mmHg
- Flash Point:
- 207.9 °C
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Specification
The CAS register number of Benzenamine,4-[(4-chlorophenyl)thio]- is 32631-29-1. It also can be called as 4-Amino-4'-chlorodiphenyl sulfide and the systematic name about this chemical is 4-[(4-chlorophenyl)sulfanyl]aniline. The molecular formula about this chemical is C12H10ClNS and the molecular weight is 235.73.
Physical properties about Benzenamine,4-[(4-chlorophenyl)thio]- are: (1)ACD/LogP: 4.15; (2)ACD/LogD (pH 5.5): 4.14; (3)ACD/LogD (pH 7.4): 4.15; (4)ACD/BCF (pH 5.5): 828.56; (5)ACD/BCF (pH 7.4): 836.48; (6)ACD/KOC (pH 5.5): 4259.42; (7)ACD/KOC (pH 7.4): 4300.11; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 51.32Å2; (12)Index of Refraction: 1.683; (13)Molar Refractivity: 67.91 cm3; (14)Molar Volume: 178.9 cm3; (15)Polarizability: 26.92x10-24cm3; (16)Surface Tension: 58.4 dyne/cm; (17)Flash Point: 207.9 °C; (18)Enthalpy of Vaporization: 67.39 kJ/mol; (19)Boiling Point: 420.1 °C at 760 mmHg; (20)Vapour Pressure: 2.89E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(Sc1ccc(N)cc1)cc2
(2)InChI: InChI=1/C12H10ClNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
(3)InChIKey: DVTZWUZZYSGZLE-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H10ClNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
(5)Std. InChIKey: DVTZWUZZYSGZLE-UHFFFAOYSA-N
