2-Cyano-3-(ethylthio-3-methylthio)-2-propenoic acid methyl ester

Base Information

• Chemical Name: 2-Cyano-3-(ethylthio-3-methylthio)-2-propenoic acid methyl ester
• CAS No.: 121635-47-0
• Molecular Formula: C8H11 N O2 S2
• Molecular Weight: 217.3084
• Mol file: 121635-47-0.mol

Synonyms:2-cyano-3-(ethylthio-3-methylthio)-2-propenoic acid methyl ester;AY 28,200;AY 28200;AY-28200

Chemical Property of 2-Cyano-3-(ethylthio-3-methylthio)-2-propenoic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.000432mmHg at 25°C
• Boiling Point: 315.6°Cat760mmHg
• Flash Point: 144.7°C
• PSA: 100.69000
• Density: 1.216g/cm³
• LogP: 2.01068
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 217.02312094
• Heavy Atom Count: 13
• Complexity: 265

Purity/Quality:

2-CYANO-3-(ETHYLTHIO-3-METHYLTHIO)-2-PROPENOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(=C(C#N)C(=O)OC)SC
• Isomeric SMILES: CCS/C(=C(/C#N)\C(=O)OC)/SC

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