-
Name
4-CYCLOHEXYL-5-(2-METHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
- EINECS
- CAS No. 23195-34-8
- Density 1.29 g/cm3
- Solubility
- Melting Point
- Formula C15H19N3OS
- Boiling Point 407.1 °C at 760 mmHg
- Molecular Weight 289.401
- Flash Point 200 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4H-1,2,4-Triazole-3-thiol,4-cyclohexyl-5-(o-methoxyphenyl)- (8CI);
- PSA 78.74000
- LogP 3.74760
3H-1,2,4-Triazole-3-thione,4-cyclohexyl-2,4-dihydro-5-(2-methoxyphenyl)- Specification
The 3H-1,2,4-Triazole-3-thione,4-cyclohexyl-2,4-dihydro-5-(2-methoxyphenyl)-, with the CAS registry number 23195-34-8, is also known as 4-Cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. This chemical's molecular formula is C15H19N3OS and molecular weight is 289.3959. Its systematic name is called 4-cyclohexyl-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione.
Physical properties of 3H-1,2,4-Triazole-3-thione,4-cyclohexyl-2,4-dihydro-5-(2-methoxyphenyl)-: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 3.8; (3)ACD/LogD (pH 7.4): 2.49; (4)ACD/BCF (pH 5.5): 306.84; (5)ACD/BCF (pH 7.4): 14.99; (6)ACD/KOC (pH 5.5): 1303.66; (7)ACD/KOC (pH 7.4): 63.71; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.662; (12)Molar Refractivity: 82.62 cm3; (13)Molar Volume: 223 cm3; (14)Surface Tension: 46.7 dyne/cm; (15)Density: 1.29 g/cm3; (16)Flash Point: 200 °C; (17)Enthalpy of Vaporization: 65.89 kJ/mol; (18)Boiling Point: 407.1 °C at 760 mmHg; (19)Vapour Pressure: 7.76E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C1N(\C(=N/N1)c2ccccc2OC)C3CCCCC3
(2)InChI: InChI=1/C15H19N3OS/c1-19-13-10-6-5-9-12(13)14-16-17-15(20)18(14)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,20)
(3)InChIKey: WJILUVXAUVDBOY-UHFFFAOYAO
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