5-Thiazolesulfonicacid, 4-methyl- supplier

Name
4-methyl-5-thiazolesulfonic acid
EINECS
CAS No. 114389-49-0
Article Data2
CAS DataBase
Density 1.611 g/cm³
Solubility
Melting Point
Formula C₄H₅NO₃S₂
Boiling Point
Molecular Weight 179.2174
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-5-thiazolesulfonic acid;
PSA 103.88000
LogP 1.77900

5-Thiazolesulfonicacid, 4-methyl- Specification

The CAS registry number of 5-Thiazolesulfonicacid, 4-methyl- is 114389-49-0. It belongs to the product category of Thiazoles. This chemical is also known as 4-Methyl-5-thiazolesulfonic acid. The molecular formula of it is C₄H₅NO₃S₂ and molecular weight is 179.2174. Its systematic name is called 4-methyl-1,3-thiazole-5-sulfonic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -4.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 37.66 cm³; (14)Molar Volume: 111.1 cm³; (15)Surface Tension: 67.7 dyne/cm; (16)Density: 1.611 g/cm³.

Preparation: this chemical can be prepared by 4-methyl-thiazole. This reaction will need reagent SO₃ and solvent 1,2-dichloro-ethane. The reaction time is 5 hours by heating. The yield is about 95 %.

5-Thiazolesulfonicacid, 4-methyl- can be prepared by 4-methyl-thiazole

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1scnc1C
(2)InChI: InChI=1/C4H5NO3S2/c1-3-4(9-2-5-3)10(6,7)8/h2H,1H3,(H,6,7,8)
(3)InChIKey :YVXSKCDVTVDXGL-UHFFFAOYAC

Product Name

4-methyl-5-thiazolesulfonic acid

5-Thiazolesulfonicacid, 4-methyl- Specification

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