4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine supplier

Name
4-CHLORO-2-METHYLTHIOPYRAZOLO[1,5-A]1,3,5-TRIAZINE
EINECS 200-589-5
CAS No. 54346-19-9
Article Data16
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point
Formula C₆H₅ClN₄S
Boiling Point 311.5 °C at 760 mmHg
Molecular Weight 200.651
Flash Point 140.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine;
PSA 68.38000
LogP 1.49960

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

Product Name

4-CHLORO-2-METHYLTHIOPYRAZOLO[1,5-A]1,3,5-TRIAZINE

4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine Specification

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