Cas no 1352318-41-2 (2-2-(Methylsulfanyl)phenylbenzonitrile)

2-2-(Methylsulfanyl)phenylbenzonitrile structure
1352318-41-2 structure
Product Name:2-2-(Methylsulfanyl)phenylbenzonitrile
CAS No:1352318-41-2
MF:C14H11NS
MW:225.308841943741
MDL:MFCD20529501
CID:1037799
PubChem ID:56776794
Update Time:2025-04-20

2-2-(Methylsulfanyl)phenylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2'-(Methylthio)-[1,1'-biphenyl]-2-carbonitrile
    • 2-(2-methylsulfanylphenyl)benzonitrile
    • 2-[2-(Methylsulfanyl)phenyl]benzonitrile
    • ACMC-209bz3
    • AK107891
    • ANW-19789
    • CTK8B0309
    • KB-224206
    • MolPort-020-003-533
    • DTXSID90718400
    • CS-0212362
    • MFCD20529501
    • 2'-(Methylsulfanyl)[1,1'-biphenyl]-2-carbonitrile
    • CEC31841
    • BS-24953
    • 1352318-41-2
    • 2-2-(Methylsulfanyl)phenylbenzonitrile
    • MDL: MFCD20529501
    • Inchi: 1S/C14H11NS/c1-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15/h2-9H,1H3
    • InChI Key: DGXUSSWQYKMTIW-UHFFFAOYSA-N
    • SMILES: S(C)C1C=CC=CC=1C1C=CC=CC=1C#N

Computed Properties

  • Exact Mass: 225.06122053g/mol
  • Monoisotopic Mass: 225.06122053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 267
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 49.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 400.7±38.0 °C at 760 mmHg
  • Flash Point: 196.1±26.8 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-2-(Methylsulfanyl)phenylbenzonitrile Security Information

2-2-(Methylsulfanyl)phenylbenzonitrile Pricemore >>

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