Basic information
- Name:
3-Thiophenecarboxamide,N-(3-methylphenyl)-5-nitro-
- Superlist Name:
- N-(3-Methylphenyl)-5-nitrothiophene-3-carboxamide
- CAS No.:
146795-30-4
- Molecular Structure:
- Formula:
- C12H10N2O3S
- Molecular Weight:
- 262.04
- Synonyms:
- N-(3-Methylphenyl)-5-nitro-3-thiophenecarboxamide;
- Density:
- 1.411 g/cm3
- Boiling Point:
- 344.997 °C at 760 mmHg
- Flash Point:
- 162.449 °C
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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
