Benzenamine,3-(methylthio)-N-phenyl- (13313-45-6)

The 3-(Methylthio)-N-phenylaniline with the CAS number 13313-45-6 is also called Benzenamine,3-(methylthio)-N-phenyl-. Its molecular formula is C₁₃H₁₃NS. The EINECS registry number is 236-342-4. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-(Methylthio)-N-phenylaniline are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 262.33; (6)ACD/BCF (pH 7.4): 262.34; (7)ACD/KOC (pH 5.5): 1875.09; (8)ACD/KOC (pH 7.4): 1875.1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 28.54 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 67.74 cm³; (15)Molar Volume: 188.2 cm³; (16)Polarizability: 26.85×10^-24cm³; (17)Surface Tension: 48.3 dyne/cm; (18)Enthalpy of Vaporization: 59.74 kJ/mol; (19)Vapour Pressure: 3.79E-05 mmHg at 25°C.

Uses: This chemical can prepare 2-methylsulfanyl-10H-phenothiazine. This reaction needs reagent sulfur and I₂ at temperature of 135 °C. The reaction time is 1.0 hour.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c2cc(Nc1ccccc1)ccc2)C
(2)InChI: InChI=1/C13H13NS/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3
(3)InChIKey: NGTRZJDYCCOXBA-UHFFFAOYAN