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1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-(tetrahydro-1,1-dioxido-3-thienyl)-, ethyl ester (51986-04-0)

Identification
Name:1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-(tetrahydro-1,1-dioxido-3-thienyl)-, ethyl ester
Synonyms:1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-(tetrahydro-3-thienyl)-, ethyl ester, S,S-dioxide;
CAS:51986-04-0
EINECS: 257-577-9
Molecular Formula: C10H14N2O5S
Molecular Weight: 274.29
InChI: InChI=1/C10H14N2O5S/c1-2-17-10(14)8-5-9(13)12(11-8)7-3-4-18(15,16)6-7/h5,7,11H,2-4,6H2,1H3
Molecular Structure: (C10H14N2O5S) 1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-(tetrahydro-3-thienyl)-, ethyl ester, S,S-dioxide;
Properties
Density:1.469 g/cm3
Refractive index:1.581
Specification:

The 3-Ethoxycarbonyl-5-hydroxy-1-sulfolanylpyrazole, with the CAS registry number 51986-04-0, is also known as Ethyl 5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylate S,S-dioxide. Its EINECS registry number is 257-577-9. This chemical's molecular formula is C10H14N2O5S and molecular weight is 274.29. Its IUPAC name and systematic name are the same which is called ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate.

Physical properties of 3-Ethoxycarbonyl-5-hydroxy-1-sulfolanylpyrazole: (1)#H bond acceptors: 7; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 106.87 Å2; (5)Index of Refraction: 1.653; (6)Molar Refractivity: 63.2 cm3; (7)Molar Volume: 172.6 cm3; (8)Surface Tension: 64.3 dyne/cm; (9)Density: 1.58 g/cm3; (10)Flash Point: 306.8 °C; (11)Enthalpy of Vaporization: 90.47 kJ/mol; (12)Boiling Point: 583.7 °C at 760 mmHg; (13)Vapour Pressure: 3.18E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=O)N(N1)C2CCS(=O)(=O)C2
(2)InChI: InChI=1S/C10H14N2O5S/c1-2-17-10(14)8-5-9(13)12(11-8)7-3-4-18(15,16)6-7/h5,7,11H,2-4,6H2,1H3
(3)InChIKey: GZTLJCPVJKMPGR-UHFFFAOYSA-N

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