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25445-02-7

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Basic Information
CAS No.: 25445-02-7
Name: 5-Phenylthiazole-2-Thiol
Article Data: 6
Molecular Structure:
Molecular Structure of 25445-02-7 (5-Phenylthiazole-2-Thiol)
Formula: C9H7NS2
Molecular Weight: 193.29
Synonyms: 5-PHENYLTHIAZOLE-2-THIOL
Density: 1.288 g/cm3
Melting Point: 175-176 °C
Boiling Point: 343.3 °C at 760 mmHg
Flash Point: 161.4 °C
PSA: 79.93000
LogP: 3.09880
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Specification

The CAS registry number of 5-Phenylthiazole-2-Thiol is 25445-02-7. This chemical's molecular formula is C9H7NS2 and molecular weight is 193.29. What's more, its systematic name is 5-Phenyl-1,3-thiazole-2-thiol . 

Physical properties about this chemical are: (1)ACD/LogP: 3.42; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 8.82; (6)ACD/BCF (pH 7.4): 3.45; (7)ACD/KOC (pH 5.5): 65.11; (8)ACD/KOC (pH 7.4): 25.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 79.93 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 55.49 cm3; (15)Molar Volume: 150 cm3; (16)Polarizability: 22×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 161.4 °C; (20)Enthalpy of Vaporization: 56.39 kJ/mol; (21)Boiling Point: 343.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000141 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Sc1ncc(s1)c2ccccc2
(2) InChI: InChI=1/C9H7NS2/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
(3) InChIKey: MWLSEYMWXVXBOW-UHFFFAOYAO