The Phenylmercaptan is an organic compound with the formula C₆H₆S. The IUPAC name of this chemical is Benzenethiol. With the CAS registry number 16528-57-7, it is also named as Phenol, thio-. Besides, its molecular weight is 110.1768.

Physical properties about Phenylmercaptan are: (1)ACD/LogP: 2.33; (2)ACD/LogD (pH 5.5): 2.294; (3)ACD/LogD (pH 7.4): 1.476; (4)ACD/BCF (pH 5.5): 32.068; (5)ACD/BCF (pH 7.4): 4.87; (6)ACD/KOC (pH 5.5): 407.855; (7)ACD/KOC (pH 7.4): 61.933; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 38.8 Å²; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 34.428 cm³; (12)Molar Volume: 102.044 cm³; (13)Polarizability: 13.648×10^-24 cm³; (14)Surface Tension: 39.472 dyne/cm; (15)Density: 1.08 g/cm³; (16)Flash Point: 50.556 °C; (17)Enthalpy of Vaporization: 39.93 kJ/mol; (18)Boiling Point: 169.139 °C at 760 mmHg; (19)Vapour Pressure: 2.073 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
(2)InChIKey: RMVRSNDYEFQCLF-UHFFFAOYAL
(3)Std. InChI: InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
(4)Std. InChIKey: RMVRSNDYEFQCLF-UHFFFAOYSA-N