3-Cyano-2-(methylthio)pyridine-6-carboxaldehyde supplier

Name
6-FORMYL-2-(METHYLSULFANYL)NICOTINONITRILE
EINECS
CAS No. 175277-27-7
Density 1.3g/cm³
Solubility
Melting Point 140 °C
Formula C₈H₆N₂OS
Boiling Point 339.9 °C at 760 mmHg
Molecular Weight 178.214
Flash Point 159.4 °C
Transport Information
Appearance
Safety 26-36/37-39
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Synonyms 6-Formyl-2-(methylsulfanyl)pyridine-3-carbonitrile;6-Formyl-2-(methylthio)-3-pyridinecarbonitrile;6-Formyl-2-(methylthio)nicotinonitrile;
PSA 79.05000
LogP 1.48768

3-Cyano-2-(methylthio)pyridine-6-carboxaldehyde Specification

The 3-Cyano-2-(methylthio)pyridine-6-carboxaldehyde, with CAS registry number 175277-27-7, has the systematic name of 6-formyl-2-(methylsulfanyl)pyridine-3-carbonitrile. Besides this, it is also called 6-Formyl-2-(methylsulfanyl)nicotinonitrile. And the chemical formula of this chemical is C₈H₆N₂OS.

Physical properties of 3-Cyano-2-(methylthio)pyridine-6-carboxaldehyde: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.55; (6)ACD/BCF (pH 7.4): 11.55; (7)ACD/KOC (pH 5.5): 200.61; (8)ACD/KOC (pH 7.4): 200.61; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 79.05 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 46.72 cm³; (15)Molar Volume: 136.5 cm³; (16)Polarizability: 18.52×10^-24cm³; (17)Surface Tension: 64.1 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 159.4 °C; (20)Enthalpy of Vaporization: 58.34 kJ/mol; (21)Boiling Point: 339.9 °C at 760 mmHg; (22)Vapour Pressure: 8.9E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nc(SC)c(C#N)cc1
(2)InChI: InChI=1/C8H6N2OS/c1-12-8-6(4-9)2-3-7(5-11)10-8/h2-3,5H,1H3
(3)InChIKey: UBGVOMZGBKLUOU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6N2OS/c1-12-8-6(4-9)2-3-7(5-11)10-8/h2-3,5H,1H3
(5)Std. InChIKey: UBGVOMZGBKLUOU-UHFFFAOYSA-N

Product Name

6-FORMYL-2-(METHYLSULFANYL)NICOTINONITRILE

3-Cyano-2-(methylthio)pyridine-6-carboxaldehyde Specification

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