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6392-97-8

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Basic Information
CAS No.: 6392-97-8
Name: 2-Phenyl-benzothiazol-6-ylamine
Article Data: 8
Molecular Structure:
Molecular Structure of 6392-97-8 (2-Phenyl-benzothiazol-6-ylamine)
Formula: C13H10N2S
Molecular Weight: 226.302
Synonyms: 2-Phenyl-6-aminobenzothiazole;6-Amino-2-phenylbenzothiazole;Benzothiazole,6-amino-2-phenyl- (6CI,7CI,8CI);
Density: 1.301 g/cm3
Melting Point: 206-207 °C
Boiling Point: 430.9 °C at 760 mmHg
Flash Point: 214.4 °C
PSA: 67.15000
LogP: 4.12670
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Specification

The 6-Benzothiazolamine,2-phenyl-, with the CAS registry number 6392-97-8, is also known as 6-Amino-2-phenylbenzothiazole. This chemical's molecular formula is C13H10N2S and molecular weight is 226.297. What's more, its IUPAC name is 2-phenyl-1,3-benzothiazol-6-amine. 

Physical properties of 6-Benzothiazolamine,2-phenyl- are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/BCF (pH 5.5): 107.6; (5)ACD/BCF (pH 7.4): 107.95; (6)ACD/KOC (pH 5.5): 989.88; (7)ACD/KOC (pH 7.4): 993.11; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.37 Å2; (12)Index of Refraction: 1.73; (13)Molar Refractivity: 69.39 cm3; (14)Molar Volume: 173.8 cm3; (15)Polarizability: 27.51×10-24cm3; (16)Surface Tension: 61.9 dyne/cm; (17)Density: 1.301 g/cm3; (18)Flash Point: 214.4 °C; (19)Enthalpy of Vaporization: 68.64 kJ/mol; (20)Boiling Point: 430.9 °C at 760 mmHg; (21)Vapour Pressure: 1.25E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)N
(2)InChI: InChI=1S/C13H10N2S/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,14H2
(3)InChIKey: KRLJYUSJAVJLTM-UHFFFAOYSA-N