2-(Cyclohexylsulfanyl)isonicotinamide supplier

Name
2-(CYCLOHEXYLTHIO)-PYRIDINE-4-CARBOXAMIDE
EINECS
CAS No. 189759-00-0
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂OS
Boiling Point 424.2 °C at 760 mmHg
Molecular Weight 236.33
Flash Point 210.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridinecarboxamide, 2-(cyclohexylthio)-;
PSA 82.27000
LogP 3.48950

2-(Cyclohexylsulfanyl)isonicotinamide Specification

The 2-(Cyclohexylsulfanyl)isonicotinamide, with the CAS registry number 189759-00-0, is also known as 4-Pyridinecarboxamide, 2-(cyclohexylthio)-. This chemical's molecular formula is C₁₂H₁₆N₂OS and molecular weight is 236.33. What's more, its systematic name is 2-(Cyclohexylsulfanyl)pyridine-4-carboxamide.

Physical properties about 2-(Cyclohexylsulfanyl)isonicotinamide are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 85.39; (6)ACD/BCF (pH 7.4): 85.39; (7)ACD/KOC (pH 5.5): 839.65; (8)ACD/KOC (pH 7.4): 839.7; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.5 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 66.64 cm³; (15)Molar Volume: 194.2 cm³; (16)Polarizability: 26.42×10^-24cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 210.4 °C; (20)Enthalpy of Vaporization: 67.87 kJ/mol; (21)Boiling Point: 424.2 °C at 760 mmHg; (22)Vapour Pressure: 2.1E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2ccnc(SC1CCCCC1)c2)N
(2) InChI: InChI=1/C12H16N2OS/c13-12(15)9-6-7-14-11(8-9)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,13,15)
(3) InChIKey: KPFHLMXEFYVSGQ-UHFFFAOYAI

Product Name

2-(CYCLOHEXYLTHIO)-PYRIDINE-4-CARBOXAMIDE

2-(Cyclohexylsulfanyl)isonicotinamide Specification

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