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63318-84-3

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Basic Information
CAS No.: 63318-84-3
Name: 2-(Methylsulfonyl)-4,5-diphenylthiazole
Article Data: 2
Molecular Structure:
Molecular Structure of 63318-84-3 (2-(Methylsulfonyl)-4,5-diphenylthiazole)
Formula: C16H13NO2S2
Molecular Weight: 315.417
Synonyms: 2-Methylsulfonyl-4,5-diphenylthiazole;
Density: 1.29g/cm3
Boiling Point: 476.499 °C at 760 mmHg
Flash Point: 241.978 °C
PSA: 83.65000
LogP: 4.96140
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Specification

The 2-(Methylsulfonyl)-4,5-diphenylthiazole, with CAS registry number 63318-84-3, has the systematic name of 2-(methylsulfonyl)-4,5-diphenyl-1,3-thiazole. Besides this, it is also called thiazole, 2-(methylsulfonyl)-4,5-diphenyl-. And the chemical formula of this chemical is C16H13NO2S2.

Physical properties of 2-(Methylsulfonyl)-4,5-diphenylthiazole: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 160; (6)ACD/BCF (pH 7.4): 160; (7)ACD/KOC (pH 5.5): 1319; (8)ACD/KOC (pH 7.4): 1319; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 83.65 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 85.549 cm3; (15)Molar Volume: 244.484 cm3; (16)Polarizability: 33.914×10-24cm3; (17)Surface Tension: 49.307 dyne/cm; (18)Enthalpy of Vaporization: 71.198 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(C)(=O)c2nc(c1ccccc1)c(s2)c3ccccc3
(2)InChI: InChI=1/C16H13NO2S2/c1-21(18,19)16-17-14(12-8-4-2-5-9-12)15(20-16)13-10-6-3-7-11-13/h2-11H,1H3
(3)InChIKey:JGZIUWPCUJAVLH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H13NO2S2/c1-21(18,19)16-17-14(12-8-4-2-5-9-12)15(20-16)13-10-6-3-7-11-13/h2-11H,1H3
(5)Std. InChIKey: JGZIUWPCUJAVLH-UHFFFAOYSA-N