4-Thiazoleacetonitrile supplier

Name
4-THIAZOLYLACETONITRILE
EINECS
CAS No. 7709-59-3
Density 1.262 g/cm³
Solubility
Melting Point
Formula C₅H₄N₂S
Boiling Point 265.8 °C at 760 mmHg
Molecular Weight 124.166
Flash Point 114.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Thiazol-4-acetonitrile;4-Thiazolylacetonitrile;
PSA 64.92000
LogP 1.20918

4-Thiazoleacetonitrile Specification

The 4-Thiazoleacetonitrile is an organic compound with the formula C₅H₄N₂S. The systematic name of this chemical is 1,3-thiazol-4-ylacetonitrile. With the CAS registry number 7709-59-3, it is also named as 2-(Thiazol-4-yl)acetonitrile.

Physical properties about 4-Thiazoleacetonitrile are: (1)ACD/LogP: -0.33; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.77; (7)ACD/KOC (pH 7.4): 15.77; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 64.92 Å²; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 32.19 cm³; (13)Molar Volume: 98.3 cm³; (14)Polarizability: 12.76×10^-24cm³; (15)Surface Tension: 56.3 dyne/cm; (16)Density: 1.262 g/cm³; (17)Flash Point: 114.5 °C; (18)Enthalpy of Vaporization: 50.37 kJ/mol; (19)Boiling Point: 265.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00899 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1ncsc1
(2)InChI: InChI=1/C5H4N2S/c6-2-1-5-3-8-4-7-5/h3-4H,1H2
(3)InChIKey: LEHFKMSSKUSKIX-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H4N2S/c6-2-1-5-3-8-4-7-5/h3-4H,1H2
(5)Std. InChIKey: LEHFKMSSKUSKIX-UHFFFAOYSA-N

Product Name

4-THIAZOLYLACETONITRILE

4-Thiazoleacetonitrile Specification

Related Products

Hot Products