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CAS No.: | 348086-68-0 |
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Name: | 2-METHYLAMINO-4-METHYLTHIAZOLE-5-SULFONAMIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H9N3O2S2 |
Molecular Weight: | 207.277 |
Synonyms: | 4-Methyl-2-(methylamino)-1,3-thiazole-5-sulfonamide;4-Methyl-2-(methylamino)-1,3-thiazol-5-sulfonamide;2-Methylamino-4-methyl-1,3-thiazol-5-sulfonamide; |
Density: | 1.514 g/cm3 |
Boiling Point: | 411.7 °C at 760 mmHg |
Flash Point: | 202.8 °C |
PSA: | 121.70000 |
LogP: | 1.99470 |
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The CAS registry number of 5-Thiazolesulfonamide,4-methyl-2-(methylamino)- is 348086-68-. This chemical is also known as 2-Methylamino-4-methyl-1,3-thiazol-5-sulfonamide. The molecular formula of it is C5H9N3O2S2 and molecular weight is 207.27. Its systematic name is called 4-methyl-2-(methylamino)-1,3-thiazole-5-sulfonamide.
Physical properties about this chemical are: (1)ACD/LogP: -0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -0.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.89; (8)ACD/KOC (pH 7.4): 8.12; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 48.02 cm3; (14)Molar Volume: 136.8 cm3; (15)Surface Tension: 71.7 dyne/cm; (16)Density: 1.514 g/cm3; (17)Flash Point: 202.8 °C; (18)Enthalpy of Vaporization: 66.42 kJ/mol; (19)Boiling Point: 411.7 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1sc(nc1C)NC)N
(2)InChI: InChI=1/C5H9N3O2S2/c1-3-4(12(6,9)10)11-5(7-2)8-3/h1-2H3,(H,7,8)(H2,6,9,10)
(3)InChIKey: LVLDBZCFWNSVLJ-UHFFFAOYAW