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189329-96-2

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Basic Information
CAS No.: 189329-96-2
Name: 2-METHYL-3-THIOPHENECARBOXAMIDE
Molecular Structure:
Molecular Structure of 189329-96-2 (2-METHYL-3-THIOPHENECARBOXAMIDE)
Formula: C6H7NOS
Molecular Weight: 141.19
Synonyms: 2-Methyl-3-thiophenecarboxamide;
Density: 1.239 g/cm3
Melting Point: 135-140℃
Boiling Point: 266.9 °C at 760 mmHg
Flash Point: 115.2 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 71.33000
LogP: 1.85570
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Specification

The 3-Thiophenecarboxamide,2-methyl-, with the CAS registry number 189329-96-2, is also known as 2-Methyl-3-thiophenecarboxamide. It belongs to the product category of Amide. This chemical's molecular formula is C6H7NOS and molecular weight is 141.19. What's more, its systematic name is called 2-Methylthiophene-3-carboxamide.

Physical properties about 3-Thiophenecarboxamide,2-methyl- are: (1) ACD/LogP: 0.96; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.96; (4) ACD/LogD (pH 7.4): 0.96; (5) ACD/BCF (pH 5.5): 3.15; (6) ACD/BCF (pH 7.4): 3.15; (7) ACD/KOC (pH 5.5): 79.16; (8) ACD/KOC (pH 7.4): 79.16; (9)#H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 71.33 Å2; (13) Index of Refraction: 1.589; (14) Molar Refractivity: 38.39 cm3; (15) Molar Volume: 113.8 cm3; (16) Surface Tension: 49.7 dyne/cm; (17) Density: 1.239 g/cm3; (18) Flash Point: 115.2 °C; (19) Enthalpy of Vaporization: 50.5 kJ/mol; (20) Boiling Point: 266.9 °C at 760 mmHg; (21) Vapour Pressure: 0.00839 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NC(=O)c1ccsc1C
(2) InChI: InChI=1/C6H7NOS/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H2,7,8)
(3) InChIKey: ZDEWSZZMQVGWCA-UHFFFAOYAW