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1,2-Benzisothiazol-3(2H)-one,2-butyl- (4299-07-4)

Identification
Name:1,2-Benzisothiazol-3(2H)-one,2-butyl-
Synonyms:1,2-Benzisothiazolin-3-one,2-butyl- (6CI,7CI,8CI); Densil DN; N-Butylbenzisothiazolin-3-one; Proxel XL 2S;Vanquish 100
CAS:4299-07-4
Molecular Formula: C11H13 N O S
Molecular Weight: 207.29
InChI: InChI=1S/C16H12N2/c1-10-15-11-6-2-4-8-13(11)18-16(15)12-7-3-5-9-14(12)17-10/h2-9,18H,1H3
Molecular Structure: (C11H13NOS) 1,2-Benzisothiazolin-3-one,2-butyl- (6CI,7CI,8CI); Densil DN; N-Butylbenzisothiazolin-3-one; Proxel ...
Properties
Density:1.177 g/cm3
Specification:

The cas register number of 2-Butyl-1,2-benzisothiazolin-3-one is 4299-07-4. It also can be called as 1,2-Benzisothiazol-3(2H)-one,2-butyl- and the Systematic name about this chemical is 2-butyl-1,2-benzisothiazol-3(2H)-one.

Physical properties about 2-Butyl-1,2-benzisothiazolin-3-one are: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 141; (5)ACD/BCF (pH 7.4): 141; (6)ACD/KOC (pH 5.5): 1202; (7)ACD/KOC (pH 7.4): 1202; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 45.61Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 59.655 cm3; (13)Molar Volume: 176.148 cm3; (14)Polarizability: 23.649x10-24cm3; (15)Surface Tension: 45.136 dyne/cm; (16)Enthalpy of Vaporization: 57.574 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2ccccc2SN1CCCC
(2)InChI: InChI=1/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3
(3)InChIKey: LUYIHWDYPAZCNN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3
(5)Std. InChIKey: LUYIHWDYPAZCNN-UHFFFAOYSA-N

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