Basic Information | Post buying leads | Suppliers |
Name |
5-Thiazolecarbonitrile,2,4-dichloro- |
EINECS | N/A |
CAS No. | 82554-18-5 | Density | 1.7 g/cm3 |
PSA | 64.92000 | LogP | 2.32158 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4Cl2N2S | Boiling Point | 339.1 °C at 760 mmHg |
Molecular Weight | 179.029 | Flash Point | 158.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4-Dichloro-5-cyanothiazole; |
The CAS registry number of 5-Thiazolecarbonitrile,2,4-dichloro- is 82554-18-5. It belongs to the product categories of Building Blocks; Thiazole. This chemical is also known as 2,4-Dichloro-5-cyanothiazole. The molecular formula of it is C4Cl2N2S and molecular weight is 179.0272. Its systematic name is called 2,4-dichloro-1,3-thiazole-5-carbonitrile.
Physical properties about 5-Thiazolecarbonitrile,2,4-dichloro- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.31; (6)ACD/BCF (pH 7.4): 3.31; (7)ACD/KOC (pH 5.5): 82.04; (8)ACD/KOC (pH 7.4): 82.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 36.91 cm3; (14)Molar Volume: 105.2 cm3; (15)Surface Tension: 73 dyne/cm; (16)Density: 1.7 g/cm3; (17)Flash Point: 158.9 °C; (18)Enthalpy of Vaporization: 58.26 kJ/mol; (19)Boiling Point: 339.1 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1sc(Cl)nc1Cl
(2)InChI: InChI=1/C4Cl2N2S/c5-3-2(1-7)9-4(6)8-3
(3)InChIKey: HXWDCGDBOAECIP-UHFFFAOYAX