2-(Benzylsulfanyl)isonicotinamide supplier

Name
2-[(PHENYLMETHYL)THIO]-PYRIDINE-4-CARBOXAMIDE
EINECS
CAS No. 347146-27-4
Density 1.28 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂N₂OS
Boiling Point 447 °C at 760 mmHg
Molecular Weight 244.31
Flash Point 224.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridinecarboxamide, 2-[(phenylmethyl)thio]-;
PSA 81.28000
LogP 3.17310

2-(Benzylsulfanyl)isonicotinamide Specification

The 2-(Benzylsulfanyl)isonicotinamide, with the CAS registry number 347146-27-4, is also known as 4-Pyridinecarboxamide, 2-[(phenylmethyl)thio]-. This chemical's molecular formula is C₁₃H₁₂N₂OS and molecular weight is 244.31. What's more, its systematic name is 2-(Benzylsulfanyl)pyridine-4-carboxamide

Physical properties about 2-(Benzylsulfanyl)isonicotinamide are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.69; (6)ACD/BCF (pH 7.4): 15.69; (7)ACD/KOC (pH 5.5): 249.72; (8)ACD/KOC (pH 7.4): 249.75; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.5 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 70.26 cm³; (15)Molar Volume: 190.5 cm³; (16)Polarizability: 27.85×10^-24 cm³; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 224.2 °C; (20)Enthalpy of Vaporization: 70.53 kJ/mol; (21)Boiling Point: 447 °C at 760 mmHg; (22)Vapour Pressure: 3.48E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2ccnc(SCc1ccccc1)c2)N
(2) InChI: InChI=1/C13H12N2OS/c14-13(16)11-6-7-15-12(8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,16)
(3) InChIKey: OZGBSJBGQSMJOR-UHFFFAOYAZ

Product Name

2-[(PHENYLMETHYL)THIO]-PYRIDINE-4-CARBOXAMIDE

2-(Benzylsulfanyl)isonicotinamide Specification

Related Products

Hot Products