N-(3-Methylphenyl)-5-nitrothiophene-3-carboxamide supplier

Name
N-(3-methylphenyl)-5-nitrothiophene-3-carboxamide
EINECS
CAS No. 146795-30-4
Density 1.411 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀N₂O₃S
Boiling Point 344.997 °C at 760 mmHg
Molecular Weight 262.04
Flash Point 162.449 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(3-Methylphenyl)-5-nitro-3-thiophenecarboxamide;
PSA
LogP

N-(3-Methylphenyl)-5-nitrothiophene-3-carboxamide Specification

The 3-Thiophenecarboxamide,N-(3-methylphenyl)-5-nitro-, with the CAS registry number 146795-30-4, is also known as N-(3-Methylphenyl)-5-nitro-3-thiophenecarboxamide. This chemical's molecular formula is C₁₂H₁₀N₂O₃S and molecular weight is 262.04. What's more, both its IUPAC name and systematic name are the same which is called N-(3-Methylphenyl)-5-nitrothiophene-3-carboxamide.

Physical properties about 3-Thiophenecarboxamide,N-(3-methylphenyl)-5-nitro- are: (1)ACD/LogP: 3.375; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 216.14; (6)ACD/BCF (pH 7.4): 216.15; (7)ACD/KOC (pH 5.5): 1632.36; (8)ACD/KOC (pH 7.4): 1632.37; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 103.16 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 70.583 cm³; (15)Molar Volume: 185.901 cm³; (16)Surface Tension: 62.73 dyne/cm; (17)Density: 1.411 g/cm³; (18)Flash Point: 162.449 °C; (19)Enthalpy of Vaporization: 58.902 kJ/mol; (20)Boiling Point: 344.997 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c2scc(C(=O)Nc1cc(ccc1)C)c2
(2) InChI: InChI=1S/C12H10N2O3S/c1-8-3-2-4-10(5-8)13-12(15)9-6-11(14(16)17)18-7-9/h2-7H,1H3,(H,13,15)
(3) InChIKey: DAQYBCYKZBRYOR-UHFFFAOYSA-N

Product Name

N-(3-methylphenyl)-5-nitrothiophene-3-carboxamide

N-(3-Methylphenyl)-5-nitrothiophene-3-carboxamide Specification

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