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N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide

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Name

N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide

EINECS N/A
CAS No. 139093-37-1 Density 1.49 g/cm3
PSA 124.97000 LogP 1.11320
Solubility N/A Melting Point N/A
Formula C9H13N3O6S Boiling Point N/A
Molecular Weight 291.285 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 139093-37-1 (N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide) Hazard Symbols N/A
Synonyms

N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide;

 

N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide Specification

The N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide with its cas register number is 139093-37-1. It also can be called as 5-[[(Methoxycarbonyl)amino]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester and the Systematic name about this chemical is 1H-pyrazole-4-carboxylic acid, 5-[[(methoxycarbonyl)amino]sulfonyl]-1-methyl-, ethyl ester.

Physical properties about N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 9; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 124.97Å2; (9)Index of Refraction: 1.585; (10)Molar Refractivity: 65.21 cm3; (11)Molar Volume: 194.5 cm3; (12)Polarizability: 25.85x10-24cm3; (13)Surface Tension: 54.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cnn(c1S(=O)(=O)NC(=O)OC)C
(2)InChI: InChI=1/C9H13N3O6S/c1-4-18-8(13)6-5-10-12(2)7(6)19(15,16)11-9(14)17-3/h5H,4H2,1-3H3,(H,11,14)
(3)InChIKey: LESYFYPGPJQPKL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H13N3O6S/c1-4-18-8(13)6-5-10-12(2)7(6)19(15,16)11-9(14)17-3/h5H,4H2,1-3H3,(H,11,14)
(5)Std. InChIKey: LESYFYPGPJQPKL-UHFFFAOYSA-N

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