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5-(2,3-Dihydro-2-thioxo-4-thiazolyl)-2-thiophenecarboxamide

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Name

5-(2,3-Dihydro-2-thioxo-4-thiazolyl)-2-thiophenecarboxamide

EINECS N/A
CAS No. 52560-89-1 Density 1.63 g/cm3
PSA 151.26000 LogP 2.95950
Solubility N/A Melting Point N/A
Formula C8H6N2OS3 Boiling Point 471.1°C at 760 mmHg
Molecular Weight 242.346 Flash Point 238.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52560-89-1 (5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide) Hazard Symbols N/A
Synonyms

5-(2-Sulfanyl-1,3-thiazol-4-yl)thiophene-2-carboxamide;

 

5-(2,3-Dihydro-2-thioxo-4-thiazolyl)-2-thiophenecarboxamide Specification

The CAS registry number of 2-Thiophenecarboxamide,5-(2,3-dihydro-2-thioxo-4-thiazolyl)- is 52560-89-1. The IUPAC name is 5-(2-sulfanyl-1,3-thiazol-4-yl)thiophene-2-carboxamide. In addition, the molecular formula is C8H6N2OS3 and the molecular weight is 242.34.

Physical properties about 2-Thiophenecarboxamide,5-(2,3-dihydro-2-thioxo-4-thiazolyl)- are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7.3; (6)ACD/KOC (pH 7.4): 2.58; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 109.18 Å2; (11)Index of Refraction: 1.806; (12)Molar Refractivity: 63.56 cm3; (13)Molar Volume: 147.7 cm3; (14)Polarizability: 25.19 ×10-24cm3; (15)Surface Tension: 96.8 dyne/cm; (16)Density: 1.63 g/cm3; (17)Flash Point: 238.7 °C; (18)Enthalpy of Vaporization: 73.38 kJ/mol; (19)Boiling Point: 471.1 °C at 760 mmHg; (20)Vapour Pressure: 4.8E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Sc1nc(cs1)c2sc(cc2)C(N)=O
(2)InChI: InChI=1/C8H6N2OS3/c9-7(11)6-2-1-5(14-6)4-3-13-8(12)10-4/h1-3H,(H2,9,11)(H,10,12)
(3)InChIKey: AMSLEHALZQXAOV-UHFFFAOYAL

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