3,3-Bis(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile

Base Information

• Chemical Name: 3,3-Bis(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile
• CAS No.: 116492-97-8
• Molecular Formula: C13H10 F3 N O S2
• Molecular Weight: 317.35
• Hs Code.: 2930909090
• European Community (EC) Number: 671-974-8
• DSSTox Substance ID: DTXSID70371097
• Mol file: 116492-97-8.mol

Synonyms:116492-97-8;3,3-bis(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile;3,3-Bis(methylthio)-2-(3-(trifluoromethyl)benzoyl)acrylonitrile;3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile;3,3-bis(methylthio)-2-[3-(trifluoromethyl)-benzoyl]acrylonitrile;Maybridge4_002130;SCHEMBL7572160;DTXSID70371097;HMS1527A18;3,3-di(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile;MFCD00174303;AKOS015852508;CCG-238084;NCGC00176890-01;CS-0339154;A803625;BRD-K67893144-001-01-8;3,3-bis-methylthio-2-(3-trifluoromethylbenzoyl)-acrylonitrile;3,3-Bis(methylthio)-2-[3-(trifluoromethyl) benzoyl]acrylonitrile;3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)phenyl]carbonyl-prop-2-enenitrile;3,3-bis(methylthio)-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-propenenitrile;Benzenepropanenitrile,a-[bis(methylthio)methylene]-b-oxo-3-(trifluoromethyl)-

Chemical Property of 3,3-Bis(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile

Chemical Property:

• Melting Point: 60 °C
• Boiling Point: 371.2±42.0 °C(Predicted)
• PSA: 91.46000
• Density: 1.350±0.06 g/cm3(Predicted)
• LogP: 4.34928
• Sensitive.: Stench
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 317.01559078
• Heavy Atom Count: 20
• Complexity: 444

Purity/Quality:

98%min ^*data from raw suppliers

3,3-Bis(methylthio)-2-[3-(trifluoromethyl)-benzoyl]acrylonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=C(C#N)C(=O)C1=CC(=CC=C1)C(F)(F)F)SC