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154851-85-1

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Basic Information
CAS No.: 154851-85-1
Name: 2-PYRIDIN-4-YL-BENZOTHIAZOL-6-YLAMINE
Molecular Structure:
Molecular Structure of 154851-85-1 (2-PYRIDIN-4-YL-BENZOTHIAZOL-6-YLAMINE)
Formula: C12H9N3S
Molecular Weight: 227.28
Synonyms: 2-Pyridin-4-ylbenzothiazol-6-ylamine;
Density: 1.36 g/cm3
Boiling Point: 470.5 °C at 760 mmHg
Flash Point: 238.3 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 80.04000
LogP: 3.52170
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Specification

The CAS registry number of 6-Benzothiazolamine,2-(4-pyridinyl)- is 154851-85-1. This chemical is also named as 2-Pyridin-4-ylbenzothiazol-6-ylamine. In addition, its molecular formula is C12H9N3S and molecular weight is 227.28. Its systematic name is called 2-pyridin-4-yl-1,3-benzothiazol-6-amine. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about this chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.89; (6)ACD/BCF (pH 7.4): 7.93; (7)ACD/KOC (pH 5.5): 152.42; (8)ACD/KOC (pH 7.4): 153.19; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.741; (13)Molar Refractivity: 67.49 cm3; (14)Molar Volume: 167 cm3; (15)Surface Tension: 69.1 dyne/cm; (16)Density: 1.36 g/cm3; (17)Flash Point: 238.3 °C; (18)Enthalpy of Vaporization: 73.3 kJ/mol; (19)Boiling Point: 470.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccc(cc3sc1c2ccncc2)N
(2)InChI: InChI=1/C12H9N3S/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7H,13H2
(3)InChIKey: KXYTYOFVZMOYHG-UHFFFAOYAP