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Ethanone,1-(2-amino-4-thiazolyl)-2-(1H-benzotriazol-1-yloxy)-2-oxo-, 1-(O-methyloxime),(1Z)- (9CI) (71445-20-0)

Identification
Name:Ethanone,1-(2-amino-4-thiazolyl)-2-(1H-benzotriazol-1-yloxy)-2-oxo-, 1-(O-methyloxime),(1Z)- (9CI)
Synonyms:Ethanone,1-(2-amino-4-thiazolyl)-2-(1H-benzotriazol-1-yloxy)-2-oxo-, 1-(O-methyloxime),(Z)-;
CAS:71445-20-0
Molecular Formula: C12H10N6O3S
Molecular Weight: 302.31
InChI: InChI=1/C12H10N6O3S/c1-20-16-10(8-6-22-12(13)14-8)11(19)21-18-9-5-3-2-4-7(9)15-17-18/h2-6H,1H3,(H2,13,14)/b16-10-
Molecular Structure: (C12H10N6O3S) Ethanone,1-(2-amino-4-thiazolyl)-2-(1H-benzotriazol-1-yloxy)-2-oxo-, 1-(O-methyloxime),(Z)-;
Properties
Density:1.67 g/cm3
Refractive index:1.774
Specification:

The cas register number of 1-[2-(Z)-Methoxyimino-2-(2-aminothiazol-4-yl)acetoxy]benzotrizole is 71445-20-0. It also can be called as Ethanone,1-(2-amino-4-thiazolyl)-2-(1H-benzotriazol-1-yloxy)-2-oxo-, 1-(O-methyloxime),(1Z)- (9CI) and the Systematic name about this chemical is 4-[(1Z)-2-(1H-benzotriazol-1-yloxy)-N-methoxy-2-oxoethanimidoyl]-1,3-thiazol-2-amine.

Physical properties about 1-[2-(Z)-Methoxyimino-2-(2-aminothiazol-4-yl)acetoxy]benzotrizole are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 16; (5)ACD/BCF (pH 7.4): 16; (6)ACD/KOC (pH 5.5): 258; (7)ACD/KOC (pH 7.4): 258; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 145.75Å2; (12)Index of Refraction: 1.774; (13)Molar Refractivity: 79.543 cm3; (14)Molar Volume: 190.618 cm3; (15)Polarizability: 31.533x10-24cm3; (16)Surface Tension: 74.279 dyne/cm; (17)Enthalpy of Vaporization: 80.389 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(On2nnc1ccccc12)C(=N\OC)/c3nc(sc3)N
(2)InChI: InChI=1/C12H10N6O3S/c1-20-16-10(8-6-22-12(13)14-8)11(19)21-18-9-5-3-2-4-7(9)15-17-18/h2-6H,1H3,(H2,13,14)/b16-10-
(3)InChIKey: WKQPUFYPPOFADD-YBEGLDIGBE
(4)Std. InChI: InChI=1S/C12H10N6O3S/c1-20-16-10(8-6-22-12(13)14-8)11(19)21-18-9-5-3-2-4-7(9)15-17-18/h2-6H,1H3,(H2,13,14)/b16-10-
(5)Std. InChIkey: WKQPUFYPPOFADD-YBEGLDIGSA-N

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