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CAS No.: | 79050-49-0 |
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Name: | 2-Benzothiazolamine,4,5-dimethyl-(9CI) |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C9H10N2S |
Molecular Weight: | 178.258 |
Synonyms: | 2-Amino-4,5-dimethylbenzothiazole; |
Density: | 1.263 g/cm3 |
Boiling Point: | 342.1 °C at 760 mmHg |
Flash Point: | 160.7 °C |
PSA: | 67.15000 |
LogP: | 3.07650 |
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The 4,5-Dimethylbenzothiazol-2-amine is an organic compound with the formula C9H10N2S. The systematic name of this chemical is 4,5-dimethyl-1,3-benzothiazol-2-amine. With the CAS registry number 79050-49-0, it is also named as 2-benzothiazolamine, 4,5-dimethyl-. The product's category is Benzothiazole.
Physical properties about 4,5-Dimethylbenzothiazol-2-amine are: (1)ACD/LogP: 2.81; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.81; (4)ACD/BCF (pH 5.5): 44.17; (5)ACD/BCF (pH 7.4): 79.91; (6)ACD/KOC (pH 5.5): 441.33; (7)ACD/KOC (pH 7.4): 798.41; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Polar Surface Area: 44.37 Å2; (11)Index of Refraction: 1.698; (12)Molar Refractivity: 54.45 cm3; (13)Molar Volume: 141 cm3; (14)Polarizability: 21.58×10-24cm3; (15)Surface Tension: 58.1 dyne/cm; (16)Density: 1.263 g/cm3; (17)Flash Point: 160.7 °C; (18)Enthalpy of Vaporization: 58.59 kJ/mol; (19)Boiling Point: 342.1 °C at 760 mmHg; (20)Vapour Pressure: 7.68E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c2c(c(ccc2sc1N)C)C
(2)InChI: InChI=1/C9H10N2S/c1-5-3-4-7-8(6(5)2)11-9(10)12-7/h3-4H,1-2H3,(H2,10,11)
(3)InChIKey: ZAJVZJPXCSIEQP-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H10N2S/c1-5-3-4-7-8(6(5)2)11-9(10)12-7/h3-4H,1-2H3,(H2,10,11)
(5)Std. InChIKey: ZAJVZJPXCSIEQP-UHFFFAOYSA-N