2-Thiazolecarbonitrile,5-methyl- supplier

Name
2-Thiazolecarbonitrile, 5-methyl-
EINECS
CAS No. 100516-71-0
Article Data2
CAS DataBase
Density 1.256 g/cm³
Solubility
Melting Point
Formula C₅H₄N₂S
Boiling Point 222.33 °C at 760 mmHg
Molecular Weight 124.166
Flash Point 88.263 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methylthiazole-2-carbonitrile;2-Cyano-5-methylthiazole;
PSA 64.92000
LogP 1.32318

2-Thiazolecarbonitrile,5-methyl- Specification

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

Product Name

2-Thiazolecarbonitrile, 5-methyl-

2-Thiazolecarbonitrile,5-methyl- Specification

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