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271778-23-5

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Basic Information
CAS No.: 271778-23-5
Name: METHYL 2-[(2-THIENYLCARBONYL)AMINO]THIOPHENE-3-CARBOXYLATE
Molecular Structure:
Molecular Structure of 271778-23-5 (METHYL 2-[(2-THIENYLCARBONYL)AMINO]THIOPHENE-3-CARBOXYLATE)
Formula: C11H9NO3S2
Molecular Weight: 267.3241
Synonyms: methyl 2-[(2-thienylcarbonyl)amino]thiophene-3-carboxylate;methyl 2-[(thiophen-2-ylcarbonyl)amino]thiophene-3-carboxylate;
Density: 1.443 g/cm3
Melting Point: 184 °C
Boiling Point: 333.5 °C at 760 mmHg
Flash Point: 155.5 °C
PSA: 111.88000
LogP: 2.92150
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  • METHYL 2-[(2-THIENYLCARBONYL)AMINO]THIOPHENE-3-CARBOXYLATE

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    METHYL 2-[(2-THIENYLCARBONYL)AMINO]THIOPHENE-3-CARBOXYLATE

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Specification

The CAS registry number of 3-Thiophenecarboxylicacid,2-[(2-thienylcarbonyl)amino]-,methyl ester is 271778-23-5. The IUPAC name is methyl 2-[(thiophen-2-ylcarbonyl)amino]thiophene-3-carboxylate. In addition, the molecular formula is C11H9NO3S2 and the molecular weight is 267.3241. It belongs to the class of Thiophene.

Physical properties about 3-Thiophenecarboxylicacid,2-[(2-thienylcarbonyl)amino]-,methyl ester are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.63; (3)ACD/LogD (pH 7.4): 3.63; (4)ACD/BCF (pH 5.5): 339.9; (5)ACD/BCF (pH 7.4): 339.9; (6)ACD/KOC (pH 5.5): 2257.09; (7)ACD/KOC (pH 7.4): 2257.07; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 103.09 Å2; (12)Index of Refraction: 1.672; (13)Molar Refractivity: 69.37 cm3; (14)Molar Volume: 185.1 cm3; (15)Polarizability: 27.5 ×10-24cm3; (16)Surface Tension: 61.2 dyne/cm; (17)Density: 1.443 g/cm3; (18)Flash Point: 155.5 °C; (19)Enthalpy of Vaporization: 57.63 kJ/mol; (20)Boiling Point: 333.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000136 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1c(scc1)NC(=O)c2sccc2
(2)InChI: InChI=1/C11H9NO3S2/c1-15-11(14)7-4-6-17-10(7)12-9(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13)
(3)InChIKey: XKRUHGJVMLXFNL-UHFFFAOYAT