-
Name
METHYL 2-CYANO-3,3-DI(METHYLTHIO)ACRYLATE
- EINECS
- CAS No. 3490-92-4
- Article Data21
- CAS DataBase
- Density 1.254 g/cm3
- Solubility
- Melting Point 85 °C
- Formula C7H9NO2S2
- Boiling Point 300.765 °C at 760 mmHg
- Molecular Weight 203.286
- Flash Point 135.698 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 100.69000
- LogP 1.62058
Methyl 3,3-bis(methylthio)-2-cyanoacrylate Chemical Properties
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
Methyl 3,3-bis(methylthio)-2-cyanoacrylate 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 .
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