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Name |
2-Thiazolecarbonitrile,5-methyl- |
EINECS | N/A |
CAS No. | 100516-71-0 | Density | 1.256 g/cm3 |
PSA | 64.92000 | LogP | 1.32318 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4N2S | Boiling Point | 222.33 °C at 760 mmHg |
Molecular Weight | 124.166 | Flash Point | 88.263 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Methylthiazole-2-carbonitrile;2-Cyano-5-methylthiazole; |
Article Data | 2 |
The 2-Thiazolecarbonitrile,5-methyl- is an organic compound with the formula C5H4N2S. The systematic name of this chemical is 5-Methylthiazole-2-carbonitrile. With the CAS registry number 100516-71-0, it is also named as 2-Cyano-5-methylthiazole. Besides, its molecular weight is 124.1637.
The physical properties of 2-Thiazolecarbonitrile,5-methyl- are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.269; (3)ACD/LogD (pH 7.4): 1.269; (4)ACD/BCF (pH 5.5): 5.422; (5)ACD/BCF (pH 7.4): 5.422; (6)ACD/KOC (pH 5.5): 116.711; (7)ACD/KOC (pH 7.4): 116.711; (8)#H bond acceptors: 2; (9)Polar Surface Area: 64.92 Å2; (10)Index of Refraction: 1.559; (11)Molar Refractivity: 31.883 cm3; (12)Molar Volume: 98.818 cm3; (13)Polarizability: 12.639×10-24 cm3; (14)Surface Tension: 57.164 dyne/cm; (15)Density: 1.256 g/cm3; (16)Flash Point: 88.263 °C; (17)Enthalpy of Vaporization: 45.879 kJ/mol; (18)Boiling Point: 222.33 °C at 760 mmHg; (19)Vapour Pressure: 0.102 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(s1)C#N
(2)InChI: InChI=1/C5H4N2S/c1-4-3-7-5(2-6)8-4/h3H,1H3
(3)InChIKey: NWVHXGICBVHAAB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H4N2S/c1-4-3-7-5(2-6)8-4/h3H,1H3
(5)Std. InChIKey: NWVHXGICBVHAAB-UHFFFAOYSA-N