Basic information
- Name:
4-Oxazolecarboxamide,2-methyl-
- Superlist Name:
- 2-Methylthiazole-4-carboxamide
- CAS No.:
100959-91-9
- Molecular Structure:
- Formula:
- C5H6N2OS
- Molecular Weight:
- 142.18
- Synonyms:
- 2-Methylthiazole-4-carboxamide;2-Methyl-1,3-thiazole-4-carboxamide;
- Density:
- 1.327 g/cm3
- Boiling Point:
- 341.3 °C at 760 mmHg
- Flash Point:
- 160.2 °C
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Specification
The CAS register number of 2-Methylthiazole-4-carboxamide is 100959-91-9. It also can be called as 4-Oxazolecarboxamide,2-methyl- and the systematic name about this chemical is 2-methyl-1,3-thiazole-4-carboxamide. The molecular formula about this chemical is C5H6N2OS and the molecular weight is 142.18.
Physical properties about 2-Methylthiazole-4-carboxamide are: (1)ACD/LogP: -0.38; (2)ACD/LogD (pH 5.5): -0.38; (3)ACD/LogD (pH 7.4): -0.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.87; (7)ACD/KOC (pH 7.4): 14.87; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 61.44Å2; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 36.48 cm3; (14)Molar Volume: 107.1 cm3; (15)Polarizability: 14.46x10-24cm3; (16)Surface Tension: 58.8 dyne/cm; (17)Enthalpy of Vaporization: 58.49 kJ/mol; (18)Boiling Point: 341.3 °C at 760 mmHg; (19)Vapour Pressure: 8.15E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1nc(sc1)C
(2)InChI: InChI=1/C5H6N2OS/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
(3)InChIKey: JFBXSNFENTXBSX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H6N2OS/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
(5)Std. InChIKey: JFBXSNFENTXBSX-UHFFFAOYSA-N
