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CAS No.: | 1123-55-3 |
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Name: | 7-Benzothiazolamine (9CI) |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H6N2S |
Molecular Weight: | 150.20 |
Synonyms: | Benzothiazole, 7-amino- (6CI,7CI,8CI);1,3-Benzothiazol-7-amine;7-Amino-1,3-benzothiazole;7-Aminobenzothiazole; |
Density: | 1.384 g/cm3 |
Melting Point: | 122-124 °C |
Boiling Point: | 323.07 °C at 760 mmHg |
Flash Point: | 149.188 °C |
Appearance: | Brown Solid |
PSA: | 67.15000 |
LogP: | 2.45970 |
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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