Cas no 7559-62-8 (Benzyl Methanethiosulfonate)

Benzyl Methanethiosulfonate structure
Benzyl Methanethiosulfonate structure
Product Name:Benzyl Methanethiosulfonate
CAS No:7559-62-8
MF:C8H10O2S2
MW:202.293799877167
CID:826727
PubChem ID:2735488
Update Time:2025-04-19

Benzyl Methanethiosulfonate Chemical and Physical Properties

Names and Identifiers

    • Benzyl Methanethiosulfonate
    • BENZYL METHANETHIOSULPHONATE
    • S-BENZYL METHANETHIOSULPHONATE
    • benzyl methanethioisulfonate
    • Benzyl-methylthiolsulfonat
    • S-benzyl methanethiosulfonate
    • SCHEMBL5467513
    • 7559-62-8
    • Methanethiosulfonic acid S-benzyl ester
    • methylsulfonylsulfanylmethylbenzene
    • CHEMBL76214
    • [(methanesulfonylsulfanyl)methyl]benzene
    • S-Benzyl methanesulphonothioate, Benzylsulphanyl methyl sulphone
    • Methanesulfonothioic Acid S-(Phenylmethyl)ester
    • Thio Methanesulfonic Acid S-Benzyl Ester
    • MTSBn [Benzyl methanethiosulfonate
    • Inchi: 1S/C8H10O2S2/c1-12(9,10)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
    • InChI Key: ULGDVKCUYZRBEK-UHFFFAOYSA-N
    • SMILES: S(C)(=O)(=O)SCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 202.01200
  • Monoisotopic Mass: 202.01222190g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 225
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.9
  • Topological Polar Surface Area: 67.8?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 37-39°C
  • Boiling Point: 375.7±21.0 °C at 760 mmHg
  • Flash Point: 181.0±22.1 °C
  • Solubility: Soluble in chloroform (a little) \ methanol (a little)
  • PSA: 67.82000
  • LogP: 2.96020
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Benzyl Methanethiosulfonate Security Information

Benzyl Methanethiosulfonate Customs Data

  • HS CODE:2930909899

Benzyl Methanethiosulfonate Pricemore >>

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Benzyl Methanethiosulfonate Production Method

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