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| CAS No.: | 82971-10-6 |
|---|---|
| Name: | 2-amino-5-thiazolesulfonic acid |
| Molecular Structure: | |
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| Formula: | C3H4N2O3S2 |
| Molecular Weight: | 180.208 |
| Synonyms: | 2-aMino-1,3-thiazole-5-sulfonic acid |
| Density: | 1.854 g/cm3 |
| PSA: | 129.90000 |
| LogP: | 1.63400 |
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Specification
The CAS registry number of 5-Thiazolesulfonicacid, 2-amino- is 82971-10-6. It belongs to the product category of Thiazoles. This chemical is also known as 2-amino-5-thiazolesulfonic acid. The molecular formula of it is C3H4N2O3S2 and molecular weight is 180.2055. Its systematic name and IUPAC name are the same which is called 2-amino-1,3-thiazole-5-sulfonic acid.
Physical properties about this chemical are: (1)ACD/LogP: -1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.81; (4)ACD/LogD (pH 7.4): -4.87; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.678; (13)Molar Refractivity: 36.65 cm3; (14)Molar Volume: 97.1 cm3; (15)Surface Tension: 101.6 dyne/cm; (16)Density: 1.854 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1sc(nc1)N
(2)InChI: InChI=1/C3H4N2O3S2/c4-3-5-1-2(9-3)10(6,7)8/h1H,(H2,4,5)(H,6,7,8)
(3)InChIKey: KZGZZBIRYZCFHV-UHFFFAOYAO