CAS No.941-57-1,2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	941-57-1
Name:	2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI)
Article Data:	9

Formula:	C₇H₅NO₃S₂
Molecular Weight:	215.254
Synonyms:	2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI);2-Benzothiazolesulfonic acid;2-Sulfobenzothiazole;1,3-benzothiazole-2-sulfonic acid;
Density:	1.668 g/cm³
PSA:	103.88000
LogP:	2.62380

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Specification

The CAS register number of Benzothiazole-2-sulfonic acid is 941-57-1. It also can be called as 2-Benzothiazolesulfonic acid and the IUPAC name about this chemical is 1,3-benzothiazole-2-sulfonic acid. The molecular formula about this chemical is C₇H₅NO₃S₂ and the molecular weight is 215.2416. It belongs to the following product category which includes Benzothiazole.

Physical properties about Benzothiazole-2-sulfonic acid are: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): -1.83; (3)ACD/LogD (pH 7.4): -1.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 92.88 Å²; (12)Index of Refraction: 1.713; (13)Molar Refractivity: 50.59 cm³; (14)Molar Volume: 129 cm³; (15)Polarizability: 20.05 10^-24cm³; (16)Surface Tension: 79.7 dyne/cm; (17)Density: 1.668 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1nc2ccccc2s1
(2)InChI: InChI=1/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)
(3)InChIKey: ZCXGMSGCBDSEOY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)
(5)Std. InChIKey: ZCXGMSGCBDSEOY-UHFFFAOYSA-N