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34916-84-2

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Basic Information
CAS No.: 34916-84-2
Name: 2-methylimidazole-4-sulfonic acid
Molecular Structure:
Molecular Structure of 34916-84-2 (2-methylimidazole-4-sulfonic acid)
Formula: C4H6N2O3S
Molecular Weight: 162.17
Synonyms: 2-Methylpyrimidine-6-sulfonicacid;
Density: 1.621 g/cm3
PSA: 91.43000
LogP: 1.04560
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Specification

The 2-Methylimidazole-4-sulfonic acid, with the CAS registry number 34916-84-2, is also known as 1H-Imidazole-4-sulfonic acid, 2-methyl-. This chemical's molecular formula is C4H6N2O3S and molecular weight is 162.17. Its systematic name is called 2-methyl-1H-imidazole-4-sulfonic acid.

Physical properties of 2-Methylimidazole-4-sulfonic acid: (1)ACD/LogP: -1.53; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.583; (11)Molar Refractivity: 33.449 cm3; (12)Molar Volume: 100.032 cm3; (13)Surface Tension: 76.109 dyne/cm; (14)Density: 1.621 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cnc(C)n1
(2)InChI: InChI=1/C4H6N2O3S/c1-3-5-2-4(6-3)10(7,8)9/h2H,1H3,(H,5,6)(H,7,8,9)
(3)InChIKey: KBABESTUFQOTNV-UHFFFAOYAO