Cas no 171879-75-7 (2-4-(Methylsulfanyl)phenylbenzonitrile)

2-4-(Methylsulfanyl)phenylbenzonitrile structure
171879-75-7 structure
Product Name:2-4-(Methylsulfanyl)phenylbenzonitrile
CAS No:171879-75-7
MF:C14H11NS
MW:225.308841943741
MDL:MFCD05981388
CID:1037798
PubChem ID:1393962
Update Time:2025-04-20

2-4-(Methylsulfanyl)phenylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4'-(Methylthio)-[1,1'-biphenyl]-2-carbonitrile
    • 2-(4-methylsulfanylphenyl)benzonitrile
    • 2-(4-(methylthio)phenyl)benzonitrile
    • 2-[4-(Methylsulfanyl)phenyl]benzonitrile
    • 4'-(Methylsulfanyl)[1,1'-biphenyl]-2-carbonitrile
    • AC1LRDL9
    • ACMC-209e3f
    • ANW-22537
    • CTK8B0989
    • 4-(Methylthio)-[1,1-biphenyl]-2-carbonitrile
    • 171879-75-7
    • DTXSID70362723
    • WGA87975
    • MFCD05981388
    • BS-25161
    • AKOS004118619
    • 2-4-(Methylsulfanyl)phenylbenzonitrile
    • MDL： MFCD05981388
    • Inchi： 1S/C14H11NS/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-9H,1H3
    • InChI Key： FPPYLRPCUYIBLZ-UHFFFAOYSA-N
    • SMILES： S(C)C1C=CC(=CC=1)C1C=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: 259
  • 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: 4.1
  • Topological Polar Surface Area: 49.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 405.4±38.0 °C at 760 mmHg
  • Flash Point: 199.0±26.8 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-4-(Methylsulfanyl)phenylbenzonitrile Security Information

2-4-(Methylsulfanyl)phenylbenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M354238-50mg
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 $ 50.00 2022-06-03
TRC
M354238-100mg
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Alichem
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 171879-75-7 95%
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 622.39 USD 2021-06-17
abcr
AB310544-1 g
2-[4-(Methylsulfanyl)phenyl]benzonitrile; 97%
 171879-75-7
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 €144.00 2023-04-26
abcr
AB310544-5 g
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abcr
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 171879-75-7 97%
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 €144.00 2025-04-20
abcr
AB310544-5g
2-[4-(Methylsulfanyl)phenyl]benzonitrile, 97%; .
 171879-75-7 97%
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A2B Chem LLC
AD43748-1g
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 171879-75-7 97%
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 $75.00 2024-04-20
A2B Chem LLC
AD43748-5g
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