Basic Information | Post buying leads | Suppliers |
Name |
3-Isothiazoleacetonitrile |
EINECS | N/A |
CAS No. | 14217-70-0 | Density | 1.262 g/cm3 |
PSA | 64.92000 | LogP | 1.20918 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4N2S | Boiling Point | 160.7 °C at 760 mmHg |
Molecular Weight | 124.166 | Flash Point | 51 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Cyanomethyl-isothiazole |
The 3-Isothiazoleacetonitrile is an organic compound with the formula C5H4N2S. With the CAS registry number 14217-70-0, the systematic name of this chemical is 2-isothiazol-3-ylacetonitrile.
Physical properties about 3-Isothiazoleacetonitrile are: (1)ACD/LogP: 0.04; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): 0.04; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 64.92 Å2; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 32.19 cm3; (9)Molar Volume: 98.3 cm3; (10)Polarizability: 12.76×10-24cm3; (11)Surface Tension: 56.3 dyne/cm; (12)Density: 1.262 g/cm3; (13)Flash Point: 51 °C; (14)Enthalpy of Vaporization: 39.73 kJ/mol; (15)Boiling Point: 160.7 °C at 760 mmHg; (16)Vapour Pressure: 2.36 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1csnc1CC#N
(2)InChI: InChI=1/C5H4N2S/c6-3-1-5-2-4-8-7-5/h2,4H,1H2
(3)InChIKey: ARPXWCKJHHFNNU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H4N2S/c6-3-1-5-2-4-8-7-5/h2,4H,1H2
(5)Std. InChIKey: ARPXWCKJHHFNNU-UHFFFAOYSA-N