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7-Benzothiazolamine

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Name

7-Benzothiazolamine

EINECS
CAS No. 1123-55-3 Density 1.384 g/cm3
Solubility Melting Point 122-124 °C
Formula C7H6N2S Boiling Point 323.07 °C at 760 mmHg
Molecular Weight 150.20 Flash Point 149.188 °C
Transport Information Appearance Brown Solid
Safety Risk Codes
Molecular Structure Molecular Structure of 1123-55-3 (7-Benzothiazolamine) Hazard Symbols
Synonyms

Benzothiazole, 7-amino- (6CI,7CI,8CI);1,3-Benzothiazol-7-amine;7-Amino-1,3-benzothiazole;7-Aminobenzothiazole;

 

7-Benzothiazolamine Specification

The 7-Benzothiazolamine, with the CAS registry number 1123-55-3, is also known as 7-Amino-1,3-benzothiazole. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C7H6N2S and molecular weight is 150.20. What's more, its systematic name is 1,3-Benzothiazol-7-amine.

Physical properties of 7-Benzothiazolamine are: (1)ACD/LogP: 0.728; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.10; (6)ACD/BCF (pH 7.4): 2.11; (7)ACD/KOC (pH 5.5): 59.18; (8)ACD/KOC (pH 7.4): 59.29; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 44.807 cm3; (15)Molar Volume: 108.533 cm3; (16)Polarizability: 17.763×10-24cm3; (17)Surface Tension: 70.3 dyne/cm; (18)Density: 1.384 g/cm3; (19)Flash Point: 149.188 °C; (20)Enthalpy of Vaporization: 56.497 kJ/mol; (21)Boiling Point: 323.07 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cccc2ncsc12
(2)Std. InChI: InChI=1S/C7H6N2S/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2
(3)Std. InChIKey: ZWUIKHROIQRWGT-UHFFFAOYSA-N  

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