Cas no 36801-01-1 (4-Mercaptobenzonitrile)

4-Mercaptobenzonitrile structure
4-Mercaptobenzonitrile structure
Product Name:4-Mercaptobenzonitrile
CAS No:36801-01-1
MF:C7H5NS
MW:135.186300039291
MDL:MFCD00272354
CID:304628
PubChem ID:585058
Update Time:2025-04-19

4-Mercaptobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-mercapto-
    • 4-Mercaptobenzonitrile
    • 4-CYANOTHIOPHENOL
    • 4-Thiobenzonitrile
    • 4-cyano-benzenethiol
    • 4-Sulphanylbenzonitrile
    • Benzonitrile,4-mercapto
    • 4-Cyanobenzenethiol
    • 4-Sulfanylbenzonitrile
    • p-Cyanobenzenethiol
    • p-Cyanothiophenol
    • p-Mercaptobenzonitrile
    • Benzonitrile, 4-mercapto-
    • MVPUXVBBHWUOFS-UHFFFAOYSA-N
    • 4-mercapto-benzonitrile
    • 4-Sulfanylbenzonitrile #
    • AMBZ0044
    • AM806854
    • MFCD00272354
    • DTXSID60342852
    • FT-0600237
    • A874280
    • 36801-01-1
    • 4-sulfanylbenzonitrile;4-CYANOTHIOPHENOL
    • F31167
    • AKOS000218115
    • SCHEMBL487363
    • CS-D0524
    • EN300-45156
    • DB-006852
    • MDL: MFCD00272354
    • Inchi: 1S/C7H5NS/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
    • InChI Key: MVPUXVBBHWUOFS-UHFFFAOYSA-N
    • SMILES: SC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 135.01400
  • Monoisotopic Mass: 135.01427034g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 127
  • 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: 2.1
  • Topological Polar Surface Area: 24.8

Experimental Properties

  • Density: 1.18
  • Melting Point: 51-52 oC
  • Boiling Point: 264 oC
  • Flash Point: 114 oC
  • PSA: 62.59000
  • LogP: 1.84698

4-Mercaptobenzonitrile Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-Mercaptobenzonitrile Pricemore >>

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4-Mercaptobenzonitrile Production Method

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