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92203-78-6

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Basic Information
CAS No.: 92203-78-6
Name: 1H-Imidazole-4-acetic acid, 2,3-dihydro-5-(methoxycarbonyl)-2-thioxo-, methyl ester
Molecular Structure:
Molecular Structure of 92203-78-6 (1H-Imidazole-4-acetic acid, 2,3-dihydro-5-(methoxycarbonyl)-2-thioxo-, methyl ester)
Formula: C8H10N2O4S
Molecular Weight: 230.244
Synonyms: Imidazole-4(or5)-acetic acid, 5(or 4)-carboxy-2-mercapto-, dimethyl ester (7CI);NSC 34774;
Density: 1.41g/cm3
Boiling Point: 328.3 °C at 760 mmHg
Flash Point: 152.4 °C
PSA: 116.27000
LogP: 0.57440
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  • 1H-Imidazole-4-aceticacid, 2,3-dihydro-5-(methoxycarbonyl)-2-thioxo-, methyl ester

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    1H-Imidazole-4-aceticacid, 2,3-dihydro-5-(methoxycarbonyl)-2-thioxo-, methyl ester

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  • 2,3-Dihydro-5-(methoxycarbonyl)-2-thioxo-1H-imidazole-4-acetic acid methyl ester

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    92203-78-6

    2,3-Dihydro-5-(methoxycarbonyl)-2-thioxo-1H-imidazole-4-acetic acid methyl ester

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Specification

The 1H-Imidazole-4-aceticacid, 2,3-dihydro-5-(methoxycarbonyl)-2-thioxo-, methyl ester, with CAS registry number 92203-78-6, has the systematic name of methyl 5-(2-methoxy-2-oxoethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate. And the chemical formula of this chemical is C8H10N2O4S.

Physical properties of 1H-Imidazole-4-aceticacid, 2,3-dihydro-5-(methoxycarbonyl)-2-thioxo-, methyl ester: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 91.17 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 54.62 cm3; (9)Molar Volume: 162.9 cm3; (10)Polarizability: 21.65×10-24cm3; (11)Surface Tension: 60.8 dyne/cm; (12)Density: 1.41 g/cm3; (13)Flash Point: 152.4 °C; (14)Enthalpy of Vaporization: 57.07 kJ/mol; (15)Boiling Point: 328.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000191 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)/C1=C(/NC(=S)N1)CC(=O)OC
(2)InChI: InChI=1/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)10-8(15)9-4/h3H2,1-2H3,(H2,9,10,15)
(3)InChIKey: HRUBYRXAWQGNAF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)10-8(15)9-4/h3H2,1-2H3,(H2,9,10,15)
(5)Std. InChIKey: HRUBYRXAWQGNAF-UHFFFAOYSA-N