Cas no 5285-74-5 ((4-methylphenyl)sulfanylformonitrile)

(4-methylphenyl)sulfanylformonitrile structure
5285-74-5 structure
Product Name:(4-methylphenyl)sulfanylformonitrile
CAS No:5285-74-5
MF:C8H7NS
MW:149.212880373001
CID:358612
PubChem ID:1277670
Update Time:2025-09-23

(4-methylphenyl)sulfanylformonitrile Chemical and Physical Properties

Names and Identifiers

    • Thiocyanic acid, 4-methylphenyl ester
    • (4-methylphenyl) thiocyanate
    • (4-methylphenyl)sulfanylformonitrile
    • p-toluenesulphenyl cyanide
    • 4-methylphenyl thiocyanate
    • SCHEMBL171086
    • 5285-74-5
    • DTXSID60361583
    • [(4-METHYLPHENYL)SULFANYL]FORMONITRILE
    • 1-methyl-4-thiocyanatobenzene
    • EN300-1699318
    • VDURJIGQVKMELT-UHFFFAOYSA-N
    • Inchi: 1S/C8H7NS/c1-7-2-4-8(5-3-7)10-6-9/h2-5H,1H3
    • InChI Key: VDURJIGQVKMELT-UHFFFAOYSA-N
    • SMILES: S(C#N)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 149.03001
  • Monoisotopic Mass: 149.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 139
  • 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: 2.8
  • Topological Polar Surface Area: 49.1?2

Experimental Properties

  • PSA: 23.79

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