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| CAS No.: | 19785-39-8 |
|---|---|
| Name: | (4-METHYL-1,3-THIAZOL-2-YL)ACETONITRILE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H6N2S |
| Molecular Weight: | 138.193 |
| Synonyms: | (4-Methyl-1,3-thiazol-2-yl)acetonitrile;(4-Methylthiazol-2-yl)acetonitrile;2-(Cyanomethyl)-4-methylthiazole; |
| Density: | 1.205 g/cm3 |
| Boiling Point: | 253.7 °C at 760mmHg |
| Flash Point: | 107.2 °C |
| Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; |
| Risk Codes: | Xn:Harmful; ">  Xn:Harmful; |
| PSA: | 64.92000 |
| LogP: | 1.51758 |
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Specification
The 2-Thiazoleacetonitrile,4-methyl-, with the CAS registry number 19785-39-8, is also known as (4-Methyl-thiazol-2-yl)-acetonitrile. It belongs to the product categories of Thiazoles, Isothiazoles & Benzothiazoles; Building Blocks; Thiazole. This chemical's molecular formula is C6H6N2S and molecular weight is 138.19. What's more, its systematic name is called (4-Methyl-1,3-thiazol-2-yl)acetonitrile.
Physical properties about 2-Thiazoleacetonitrile,4-methyl- are: (1) ACD/LogP: 1.04; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 64.92 Å2; (7) Index of Refraction: 1.559; (8) Molar Refractivity: 37.01 cm3; (9) Molar Volume: 114.6 cm3; (10) Surface Tension: 51.5 dyne/cm; (11) Density: 1.205 g/cm3; (12) Flash Point: 107.2 °C; (13) Enthalpy of Vaporization: 49.11 kJ/mol; (14) Boiling Point: 253.7 °C at 760 mmHg; (15) Vapour Pressure: 0.018 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CCc1nc(cs1)C
(2) InChI: InChI=1/C6H6N2S/c1-5-4-9-6(8-5)2-3-7/h4H,2H2,1H3
(3) InChIKey: XSRRCOBFMZWKJR-UHFFFAOYAF