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Benzothiazole,2-hydrazinyl-6-methyl- (20174-69-0)

Identification
Name:Benzothiazole,2-hydrazinyl-6-methyl-
Synonyms:2(3H)-Benzothiazolone,6-methyl-, hydrazone (9CI);Benzothiazole, 2-hydrazino-6-methyl- (6CI,7CI,8CI);(6-Methyl-2-benzothiazolyl)hydrazine;2-Hydrazino-6-methylbenzothiazole;
CAS:20174-69-0
Molecular Formula: C8H9N3S
Molecular Weight: 179.24
InChI: InChI=1/C8H9N3S/c1-5-2-3-6-7(4-5)12-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
Molecular Structure: (C8H9N3S) 2(3H)-Benzothiazolone,6-methyl-, hydrazone (9CI);Benzothiazole, 2-hydrazino-6-methyl- (6CI,7CI,8CI);...
Properties
Melting Point: 220
Flash Point: 159.6°C
Boiling Point: 340.3°Cat760mmHg
Density:1.387g/cm3
Refractive index:1.774
Specification:

The CAS register number of 1-(6-Methylbenzo[d]thiazol-2-yl)hydrazine is 20174-69-0. It also can be called as Benzothiazole,2-hydrazinyl-6-methyl- and the systematic name about this chemical is 2-hydrazinyl-6-methyl-1,3-benzothiazole. It belongs to the Benzothiazole.

Physical properties about 1-(6-Methylbenzo[d]thiazol-2-yl)hydrazine are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 24.13; (5)ACD/BCF (pH 7.4): 26.36; (6)ACD/KOC (pH 5.5): 331.31; (7)ACD/KOC (pH 7.4): 361.88; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 47.61Å2; (12)Index of Refraction: 1.774; (13)Molar Refractivity: 53.9 cm3; (14)Molar Volume: 129.1 cm3; (15)Polarizability: 21.37x10-24cm3; (16)Surface Tension: 70.4 dyne/cm; (17)Enthalpy of Vaporization: 58.38 kJ/mol; (18)Boiling Point: 340.3 °C at 760 mmHg; (19)Vapour Pressure: 8.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2ccc(cc2sc1NN)C
(2)InChI: InChI=1/C8H9N3S/c1-5-2-3-6-7(4-5)12-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
(3)InChIKey: FKQJZJBFHUUYBV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H9N3S/c1-5-2-3-6-7(4-5)12-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
(5)Std. InChIKey: FKQJZJBFHUUYBV-UHFFFAOYSA-N

Flash Point: 159.6°C
Safety Data
Hazard Symbols Xi: Irritant