4,5-Dimethylbenzothiazol-2-amine supplier

Name
2-Benzothiazolamine,4,5-dimethyl-(9CI)
EINECS
CAS No. 79050-49-0
Article Data7
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂S
Boiling Point 342.1 °C at 760 mmHg
Molecular Weight 178.258
Flash Point 160.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-4,5-dimethylbenzothiazole;
PSA 67.15000
LogP 3.07650

4,5-Dimethylbenzothiazol-2-amine Specification

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

Product Name

2-Benzothiazolamine,4,5-dimethyl-(9CI)

4,5-Dimethylbenzothiazol-2-amine Specification

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