Molecule structure of Ethyl 3-cyano-2-mercapto-6-methylisonicotinate (CAS NO.56891-69-1):

IUPAC Name: 3-Cyano-4-ethoxycarbonyl-6-methylpyridine-2-thiolate
Molecular Weight: 222.2636 [g/mol]
Molecular Formula: C₁₀H₁₀N₂O₂S
Index of Refraction: 1.59
Molar Refractivity: 58 cm³
Molar Volume: 171.6 cm³
Surface Tension: 58.5 dyne/cm
Density: 1.29 g/cm³ 
Melting Point: 214 °C
Sensitive: air sensitive
Flash Point: 136.9 °C
Enthalpy of Vaporization: 54.3 kJ/mol
Boiling Point: 302.8 °C at 760 mmHg
Vapour Pressure: 0.000971 mmHg at 25 °C
XLogP3-AA: 1.7
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Exact Mass: 221.038473
MonoIsotopic Mass: 221.038473
Topological Polar Surface Area: 63
Heavy Atom Count: 15
Formal Charge: -1
Complexity: 286
Canonical SMILES: CCOC(=O)C1=CC(=NC(=C1C#N)[S-])C
InChI: InChI=1S/C10H10N2O2S/c1-3-14-10(13)7-4-6(2)12-9(15)8(7)5-11/h4H,3H2,1-2H3,(H,12,15)/p-1
InChIKey of Ethyl 3-cyano-2-mercapto-6-methylisonicotinate (CAS NO.56891-69-1): WBMMFDGNOQLZNF-UHFFFAOYSA-M

Hazard Codes: Xi, Xn
Risk Statements 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 22-36/37/39-26
S22:Do not breathe dust. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3276
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III

 Ethyl 3-cyano-2-mercapto-6-methylisonicotinate (CAS NO.56891-69-1) is also called Ethyl 3-cyano-6-methyl-2-thioxo-1,2-dihydropyridine-4-carboxylate ; 3-Cyano-4-(ethoxycarbonyl)-6-methylpyridine-2-thiol .