Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrazole-4-carbonitrile,5-amino-3-(methylthio)-1-phenyl- |
EINECS | N/A |
CAS No. | 59334-11-1 | Density | 1.31 g/cm3 |
PSA | 92.93000 | LogP | 2.62928 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H10N4S | Boiling Point | 454.1 °C at 760 mmHg |
Molecular Weight | 230.293 | Flash Point | 228.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
5-Amino-3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile;5-Amino-3-methylthio-1-phenylpyrazole-4-carbonitrile; |
Article Data | 6 |
The 1H-Pyrazole-4-carbonitrile,5-amino-3-(methylthio)-1-phenyl-, with the CAS registry number 59334-11-1, is also known as 5-Amino-3-methylthio-1-phenylpyrazole-4-carbonitrile. This chemical's molecular formula is C11H10N4S and molecular weight is 230.29. What's more, its systematic name is 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile.
Physical properties of 1H-Pyrazole-4-carbonitrile,5-amino-3-(methylthio)-1-phenyl- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 70.15 Å2; (7)Index of Refraction: 1.684; (8)Molar Refractivity: 66.6 cm3; (9)Molar Volume: 175.3 cm3; (10)Polarizability: 26.4×10-24cm3; (11)Surface Tension: 55.9 dyne/cm; (12)Density: 1.31 g/cm3; (13)Flash Point: 228.4 °C; (14)Enthalpy of Vaporization: 71.36 kJ/mol; (15)Boiling Point: 454.1 °C at 760 mmHg; (16)Vapour Pressure: 1.96E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c(SC)nn(c1ccccc1)c2N
(2)Std. InChI: InChI=1S/C11H10N4S/c1-16-11-9(7-12)10(13)15(14-11)8-5-3-2-4-6-8/h2-6H,13H2,1H3
(3)Std. InChIKey: IIOQJYJHSDCILE-UHFFFAOYSA-N