CAS No.98953-72-1,Benzothiazole, 5-amino-2,6-dimethyl- (6CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98953-72-1
Name:	Benzothiazole, 5-amino-2,6-dimethyl- (6CI)

Formula:	C₉H₁₀N₂S
Molecular Weight:	178.258
Synonyms:	2-benzothiazolamine, 5,6-dimethyl-;5,6-Dimethyl-1,3-benzothiazol-2-amine;
Density:	1.263g/cm³
Boiling Point:	342.1 °C at 760 mmHg
Flash Point:	160.7 °C
PSA:	67.15000
LogP:	3.07650

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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