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332383-09-2

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Basic Information
CAS No.: 332383-09-2
Name: [(6-METHYL-BENZOTHIAZOL-2-YLCARBAMOYL)-METHYLSULFANYL]-ACETIC ACID
Molecular Structure:
Molecular Structure of 332383-09-2 ([(6-METHYL-BENZOTHIAZOL-2-YLCARBAMOYL)-METHYLSULFANYL]-ACETIC ACID)
Formula: C12H12N2O3S2
Molecular Weight: 296.37
Synonyms: Aceticacid, [[2-[(6-methyl-2-benzothiazolyl)amino]-2-oxoethyl]thio]- (9CI);
Density: 1.502 g/cm3
Hazard Symbols: IrritantXi
PSA: 132.83000
LogP: 2.43400
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Specification

The Acetic acid,2-[[2-[(6-methyl-2-benzothiazolyl)amino]-2-oxoethyl]thio]- is an organic compound with the formula C12H12N2O3S2. The IUPAC name of this chemical is 2-[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate. With the CAS registry number 332383-09-2, it is also named as [(6-Methyl-benzothiazol-2-ylcarbamoyl)-methylsulfanyl]-acetic acid. Besides, its molecular weight is 296.37.

Physical properties about Acetic acid,2-[[2-[(6-methyl-2-benzothiazolyl)amino]-2-oxoethyl]thio]- are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 0.86; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.49; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 113.04 Å2; (11)Index of Refraction: 1.727; (12)Molar Refractivity: 78.49 cm3; (13)Molar Volume: 197.2 cm3; (14)Polarizability: 31.11×10-24 cm3; (15)Surface Tension: 75.7 dyne/cm; (16)Density: 1.502 g/cm3.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H12N2O3S2/c1-7-2-3-8-9(4-7)19-12(13-8)14-10(15)5-18-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)(H,13,14,15)
(2)InChIKey: ARGSLYMLRAVKOA-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C12H12N2O3S2/c1-7-2-3-8-9(4-7)19-12(13-8)14-10(15)5-18-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)(H,13,14,15)
(4)Std. InChIKey: ARGSLYMLRAVKOA-UHFFFAOYSA-N