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2,6-Dimethyl-5-benzothiazolamine (98953-72-1)

Identification
Name:2,6-Dimethyl-5-benzothiazolamine
Synonyms:2-benzothiazolamine, 5,6-dimethyl-;5,6-Dimethyl-1,3-benzothiazol-2-amine;
CAS:98953-72-1
Molecular Formula: C9H10N2S
Molecular Weight: 178.25
Molecular Structure: (C9H10N2S) 2-benzothiazolamine, 5,6-dimethyl-;5,6-Dimethyl-1,3-benzothiazol-2-amine;
Properties
Density:1.263
Specification:

The 2,6-Dimethyl-5-benzothiazolamine, with CAS registry number of 98953-72-1, belongs to the following product categorie: Benzothiazole. It has the systematic name of 5,6-dimethyl-1,3-benzothiazol-2-amine. And it is also named 5,6-Dimethyl-1,3-benzothiazol-2-amine.

Physical properties about this chemical are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 50.79; (6)ACD/BCF (pH 7.4): 80.15; (7)ACD/KOC (pH 5.5): 507.4; (8)ACD/KOC (pH 7.4): 800.79; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 54.45 cm3; (15)Molar Volume: 141 cm3; (16)Polarizability: 21.58×10-24cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Enthalpy of Vaporization: 58.59 kJ/mol; (19)Vapour Pressure: 7.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: n1c2cc(c(cc2sc1N)C)C
(2)InChI: InChI=1/C9H10N2S/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11)
(3)InChIKey: IODWHFFPQHUDAG-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H2,10,11)
(5)Std. InChIKey: IODWHFFPQHUDAG-UHFFFAOYSA-N

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