CAS No.2688-96-2,2-Phenylthiophenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2688-96-2
Name:	2-Phenylthiophenol
Article Data:	6

Formula:	C₁₂H₁₀S
Molecular Weight:	186.277
Synonyms:	2-Mercaptodiphenyl;2-Mercaptobiphenyl;2-Biphenylthiol(6CI,7CI,8CI);2-Phenylbenzenethiol;2-Phenylthiophenol;
Density:	1.113 g/cm³
Melting Point:	108-110 °C
Boiling Point:	315.8 °C at 760 mmHg
Flash Point:	146.4 °C
Risk Codes:	10-24/25-26-41
Safety:	23-26-28-36/37/39-45
PSA:	38.80000
LogP:	3.64230

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Specification

The systematic name of 2-Phenylthiophenol is biphenyl-2-thiol. With the CAS registry number 2688-96-2, it is also named as 2-Mercaptobiphenyl. In addition, its molecular formula is C₁₂H₁₀S and molecular weight is 186.27.

The other characteristics of 2-Phenylthiophenol can be summarized as: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 1339.93; (6)ACD/BCF (pH 7.4): 166.33; (7)ACD/KOC (pH 5.5): 5864.91; (8)ACD/KOC (pH 7.4): 728.02; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 59.02 cm³; (15)Molar Volume: 167.3 cm³; (16)Polarizability: 23.39×10^-24cm³; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.113 g/cm³; (19)Flash Point: 146.4 °C; (20)Melting Point: 108-110 °C; (21)Enthalpy of Vaporization: 53.49 kJ/mol; (22)Boiling Point: 315.8 °C at 760 mmHg; (23)Vapour Pressure: 0.000792 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Sc2ccccc2c1ccccc1
(2)InChI: InChI=1/C12H10S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
(3)InChIKey: UECUPGFJVNJNQA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H10S/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
(5)Std. InChIKey: UECUPGFJVNJNQA-UHFFFAOYSA-N