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CAS No.: | 6265-91-4 |
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Name: | 2-(4-CHLOROPHENYL)BENZOTHIAZOLE |
Article Data: | 286 |
Molecular Structure: | |
Formula: | C13H8ClNS |
Molecular Weight: | 245.732 |
Synonyms: | Benzothiazole,2-(p-chlorophenyl)- (6CI,8CI);2-(4-Chlorophenyl)benzothiazole;2-(4'-Chlorophenyl)benzothiazole;2-(p-Chlorophenyl)benzothiazole;NSC 33160; |
Density: | 1.339 g/cm3 |
Melting Point: | 118 °C |
Boiling Point: | 381.9 °C at 760 mmHg |
Flash Point: | 184.8 °C |
PSA: | 41.13000 |
LogP: | 4.61670 |
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The Benzothiazole,2-(4-chlorophenyl)- is an organic compound with the molecular formula C13H8ClNS. Its CAS registry number is 6265-91-4. The IUPAC name of this chemical is called 2-(4-Chlorophenyl)-1,3-benzothiazole. What's more, the molecular weight of this chemical is 245.73.
Physical properties about Benzothiazole,2-(4-chlorophenyl)- are: (1)ACD/LogP: 5.02; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.02; (4)ACD/LogD (pH 7.4): 5.02; (5)ACD/BCF (pH 5.5): 3874.67; (6)ACD/BCF (pH 7.4): 3875.17; (7)ACD/KOC (pH 5.5): 12883.57; (8)ACD/KOC (pH 7.4): 12885.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 70.05 cm3; (15)Molar Volume: 183.4 cm3; (16)Polarizability: 27.77×10-24 cm3; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.339 g/cm3; (19)Flash Point: 184.8 °C; (20)Enthalpy of Vaporization: 60.56 kJ/mol; (21)Boiling Point: 381.9 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc3ccc(c1nc2ccccc2s1)cc3
(2) InChI: InChI=1/C13H8ClNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
(3) InChIKey: GEYFXQNOTPBYPC-UHFFFAOYAK