Cas no 4430-35-7 (Hesperin)

Hesperin structure
Hesperin structure
Product Name:Hesperin
CAS No:4430-35-7
MF:C8H15NOS2
MW:205.340799570084
MDL:MFCD03093720
CID:1058903
PubChem ID:9815648
Update Time:2025-04-20

Hesperin Chemical and Physical Properties

Names and Identifiers

    • 6-Methylsulfinylhexyl Isothiocyanate
    • 1-ISOTHIOCYANATO-6-(METHYLSULFINYL)-HEXANE
    • 1-isothiocyanato-6-methylsulfinylhexane
    • 6-Methylsulfinylhexy
    • (6-Isothiocyanato-hexyl)-methyl-sulfoxid
    • 6-(methylsulfinyl)hexyl isothiocyanate
    • CHEMBL573428
    • CTK1D2491
    • Hexane, 1-isothiocyanato-6-(methylsulfinyl)-
    • Hesperin
    • 1-Isothiocyanato-6-(methylsulfinyl)hexane
    • 8RUP6Q3JBB
    • MS-23116
    • BDBM50508432
    • 6-HITC
    • XQZVZULJKVALRI-UHFFFAOYSA-N
    • DTXSID00431173
    • Q27999998
    • SCHEMBL106183
    • CS-0021243
    • HY-101371
    • 6-MeSC6 isothiocyanate
    • Isothiocyanic acid, 6-(methylsulfinyl)hexyl ester
    • UNII-8RUP6Q3JBB
    • 6-MITC
    • 1-isothiocyanato-6-methanesulfinylhexane
    • CHEBI:138799
    • AKOS040741834
    • Isothiocyanic Acid 6-(Methylsulfinyl)hexyl Ester
    • 1-Isothiocyanato-6-(methylsulfinyl)hexane, 9CI
    • 4430-35-7
    • Isothiocyanic Acid 6-(Methylsulfinyl)hexyl Ester; 1-Isothiocyanato-6-(methylsulfinyl)hexane; Hesperin
    • DB-296629
    • 6-MITC?
    • GLXC-04603
    • MDL: MFCD03093720
    • Inchi: 1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3
    • InChI Key: XQZVZULJKVALRI-UHFFFAOYSA-N
    • SMILES: S(C)(CCCCCCN=C=S)=O

Computed Properties

  • Exact Mass: 205.05965
  • Monoisotopic Mass: 205.05950645g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 176
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • Density: 1.12±0.1 g/cm3(Predicted)
  • Boiling Point: 385.9±25.0 °C(Predicted)
  • PSA: 29.43

Hesperin Security Information

  • Storage Condition:Pure form -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Hesperin Pricemore >>

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