N-3-thienylacetamide

The Acetamide, N-3-thienyl-, with the CAS registry number of 42602-67-5, is also known as N-3-Thienylacetamide. It belongs to the product category of Heterocycles. Its EINECS registry number is 255-907-6. This chemical's molecular formula is C₆H₇NOS and molecular weight is 141.19088. What's more, its IUPAC name is N-Thiophen-3-ylacetamide.

Physical properties about Acetamide, N-3-thienyl- are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.23; (6)ACD/BCF (pH 7.4): 2.23; (7)ACD/KOC (pH 5.5): 61.76; (8)ACD/KOC (pH 7.4): 61.76; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.55 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 38.9 cm³; (15)Molar Volume: 111.9 cm³; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 150.3 °C; (19)Enthalpy of Vaporization: 56.7 kJ/mol; (20)Boiling Point: 325 °C at 760 mmHg; (21)Vapour Pressure: 0.000237 mmHg at 25 °C.

Preparation: this chemical is prepared by 1-Thiophen-3-yl-ethanone oxime. The reaction needs reagent Phosphorus pentachloride and solvent Diethyl ether. Other condition of this reactions are 1.) 0 °C, 2 h, 2.) ambient temperature, 8 h. The yield is about 72 %.

Uses of Acetamide, N-3-thienyl-: it is used to produce other chemicals. For example, it is used to produce N-Acetyl N-thienyl-3 acetamide by heating. The reaction time is 15 hours. The yield is about 80 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccsc1)C
(2) InChI: InChI=1/C6H7NOS/c1-5(8)7-6-2-3-9-4-6/h2-4H,1H3,(H,7,8)
(3) InChIKey: QHXQVXGAEYDJCR-UHFFFAOYAW