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| CAS No.: | 88398-81-6 |
|---|---|
| Name: | 1-Methyl-4-ethylformate-5-pyrazole sulfonamide |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H11N3O4S |
| Molecular Weight: | 233.248 |
| Synonyms: | 1-Methyl-4-ethylformate-5-pyrazole sulfonamide;Ethyl 1-methyl-5-sulfamoyl-1H-pyrazole-4-carboxylate; |
| Density: | 1.54 g/cm3 |
| Boiling Point: | 449.504 °C at 760 mmHg |
| Flash Point: | 225.652 °C |
| PSA: | 112.66000 |
| LogP: | 1.02530 |
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Specification
The 1-Methyl-4-ethylformate-5-pyrazole sulfonamide with the CAS number 88398-81-6 is also called 1H-Pyrazole-4-carboxylicacid, 5-(aminosulfonyl)-1-methyl-, ethyl ester. The IUPAC name is ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate. Its molecular formula is C7H11N3O4S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: -1.52; (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): 5; (6)ACD/KOC (pH 7.4): 5; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 112.66 Å2; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 52.802 cm3; (13)Molar Volume: 151.438 cm3; (14)Polarizability: 20.932×10-24cm3; (15)Surface Tension: 60.182 dyne/cm; (16)Enthalpy of Vaporization: 70.821 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(N)(=O)c1c(cnn1C)C(=O)OCC
(2)InChI: InChI=1/C7H11N3O4S/c1-3-14-7(11)5-4-9-10(2)6(5)15(8,12)13/h4H,3H2,1-2H3,(H2,8,12,13)
(3)InChIKey: ICDLJCWXRUNUNO-UHFFFAOYAU