CAS No.52560-89-1,5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52560-89-1
Name:	5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide

Formula:	C₈H₆N₂OS₃
Molecular Weight:	242.346
Synonyms:	5-(2-Sulfanyl-1,3-thiazol-4-yl)thiophene-2-carboxamide;
Density:	1.63 g/cm³
Boiling Point:	471.1°C at 760 mmHg
Flash Point:	238.7 °C
PSA:	151.26000
LogP:	2.95950

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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