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3490-92-4

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Basic Information
CAS No.: 3490-92-4
Name: METHYL 2-CYANO-3,3-DI(METHYLTHIO)ACRYLATE
Article Data: 21
Molecular Structure:
Molecular Structure of 3490-92-4 (METHYL 2-CYANO-3,3-DI(METHYLTHIO)ACRYLATE)
Formula: C7H9NO2S2
Molecular Weight: 203.286
Synonyms: Acrylicacid, 2-cyano-3-oxo-, methyl ester, dimethyl mercaptole (7CI);1-Cyano-1-(methoxycarbonyl)-2,2-bis(methylthio)ethylene;2-Cyano-3,3-bis(methylsulfanyl)prop-2-enoic acid methyl ester;2-Cyano-3,3-di(methylthio)acrylic acid methyl ester;3,3-(Bismethylthio)-2-cyanoacrylic acid methyl ester;Methylbis(methylthio)methylenecyanoacetate;
Density: 1.254 g/cm3
Melting Point: 85 °C
Boiling Point: 300.765 °C at 760 mmHg
Flash Point: 135.698 °C
PSA: 100.69000
LogP: 1.62058
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Chemistry

Empirical Formula of Methyl2-cyano-3,3-bis(methylthio)acrylate (CAS NO.3490-92-4): C7H9NO2S2
Molecular Weight: 203.2819
Nominal Mass: 203 Da
Average Mass: 203.2819 Da
Monoisotopic Mass: 203.007469 Da 
Index of Refraction: 1.553
Molar Refractivity: 51.9 cm3
Molar Volume: 162.1 cm3
Surface Tension: 47 dyne/cm
Density: 1.254 g/cm3
Flash Point: 135.7 °C 
Melting point: 85 °C
Enthalpy of Vaporization: 54.09 kJ/mol
Boiling Point: 300.8 °C at 760 mmHg
Vapour Pressure: 0.0011 mmHg at 25 °C
Structure of Methyl2-cyano-3,3-bis(methylthio)acrylate (CAS NO.3490-92-4):
                       
IUPAC Name: Methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
Canonical SMILES: COC(=O)C(=C(SC)SC)C#N
InChI: InChI=1S/C7H9NO2S2/c1-10-6(9)5(4-8)7(11-2)12-3/h1-3H3
InChIKey: SJDBEROAEMAOJW-UHFFFAOYSA-N

Specification

 Methyl2-cyano-3,3-bis(methylthio)acrylate , its cas register number is 3490-92-4. It also can be called Acrylicacid, 2-cyano-3-oxo-, methyl ester, 3-(dimethyl mercaptole) (8CI) ; 2-Cyano-3,3-bis(methylsulfanyl)prop-2-enoic acid methyl ester ; and Methyl2-cyano-3,3-bis(methylthio)-2-propenoate .