5-Thiazolesulfonicacid, 2-bromo- supplier

Name
2-Bromothiazole-5-sulfonic acid
EINECS
CAS No. 41731-70-8
Article Data2
CAS DataBase
Density 2.197 g/cm³
Solubility
Melting Point
Formula C₃H₂BrNO₃S₂
Boiling Point
Molecular Weight 244.09
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromothiazole-5-sulfonicacid;
PSA 103.88000
LogP 2.23310

5-Thiazolesulfonicacid, 2-bromo- Specification

The CAS registry number of 5-Thiazolesulfonicacid, 2-bromo- is 41731-70-8. This chemical is also known as 2-Bromothiazole-5-sulfonic acid. The molecular formula of it is C₃H₂BrNO₃S₂and molecular weight is 244.08688. Its systematic name is called 2-bromo-1,3-thiazole-5-sulfonic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.654; (11)Molar Refractivity: 40.76 cm³; (12)Molar Volume: 111 cm³; (13)Surface Tension: 79.5 dyne/cm; (14)Density: 2.197 g/cm³.

Preparation: this chemical can be prepared by 2-bromo-thiazole. This reaction will need reagent SO₃ and solvent 1,2-dichloro-ethane. The reaction time is 4 hours by heating. The yield is about 38 %.

2-bromo-thiazole-5-sulfonic acid can be prepared by 2-bromo-thiazole

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cnc(Br)s1
(2)InChI: InChI=1/C3H2BrNO3S2/c4-3-5-1-2(9-3)10(6,7)8/h1H,(H,6,7,8)
(3)InChIKey: PGFNDPGQTWUDOT-UHFFFAOYAP

Product Name

2-Bromothiazole-5-sulfonic acid

5-Thiazolesulfonicacid, 2-bromo- Specification

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