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Cas Database |
| Name |
4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine |
EINECS | 200-589-5 |
| CAS No. | 54346-19-9 | Density | 1.286 g/cm3 |
| PSA | 68.38000 | LogP | 1.49960 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H5ClN4S | Boiling Point | 311.5 °C at 760 mmHg |
| Molecular Weight | 200.651 | Flash Point | 140.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine; |
Article Data | 16 |
4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine Specification
The 4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine with its cas register number is 54346-19-9. It also can be called as and the IUPAC Name about this chemical is 4-chloro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine. It belongs to the Chiral chemicals.
Physical properties about 4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine are: (1)ACD/LogP: 4.27; (2)ACD/LogD (pH 5.5): 4.27; (3)ACD/LogD (pH 7.4): 4.27; (4)ACD/BCF (pH 5.5): 1029.05; (5)ACD/BCF (pH 7.4): 1029.05; (6)ACD/KOC (pH 5.5): 4987.71; (7)ACD/KOC (pH 7.4): 4987.71; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 69.5 cm3; (13)Molar Volume: 206 cm3; (14)Polarizability: 27.55x10-24cm3; (15)Surface Tension: 44.3 dyne/cm; (16)Enthalpy of Vaporization: 55.24 kJ/mol; (17)Vapour Pressure: 0.000562 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSC1=NC2=CC=NN2C(=N1)Cl
(2)InChI: InChI=1S/C6H5ClN4S/c1-12-6-9-4-2-3-8-11(4)5(7)10-6/h2-3H,1H3
(3)InChIKey: PDFYLKPBYWPEDQ-UHFFFAOYSA-N
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