Cas no 737000-92-9 ((S)-(+)-1-CYCLOHEXYLETHYL ISOTHIOCYANATE)

(S)-(+)-1-CYCLOHEXYLETHYL ISOTHIOCYANATE structure
737000-92-9 structure
Product Name:(S)-(+)-1-CYCLOHEXYLETHYL ISOTHIOCYANATE
CAS No:737000-92-9
MF:C9H15NS
MW:169.28710103035
MDL:MFCD05664050
CID:978322
PubChem ID:11528418
Update Time:2025-04-19

(S)-(+)-1-CYCLOHEXYLETHYL ISOTHIOCYANATE Chemical and Physical Properties

Names and Identifiers

    • (S)-(+)-1-CYCLOHEXYLETHYL ISOTHIOCYANATE
    • BP-12888
    • 737000-92-9
    • AKOS025295674
    • DTXSID00468065
    • [(1S)-1-isothiocyanatoethyl]cyclohexane
    • MFCD05664050
    • DB-236142
    • MDL: MFCD05664050
    • Inchi: 1S/C9H15NS/c1-8(10-7-11)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3/t8-/m0/s1
    • InChI Key: KMMWHCFHXACMCZ-QMMMGPOBSA-N
    • SMILES: S=C=N[C@@H](C)C1CCCCC1

Computed Properties

  • Exact Mass: 169.09252066g/mol
  • Monoisotopic Mass: 169.09252066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.4
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Density: 1,004 g/cm3
  • Refractive Index: 1.5268
  • PSA: 44.45000
  • LogP: 3.05800
  • Sensitiveness: Moisture Sensitive

(S)-(+)-1-CYCLOHEXYLETHYL ISOTHIOCYANATE Security Information

  • Hazardous Material transportation number:2810
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: 26-36/37/39
  • HazardClass:6.1
  • PackingGroup:III

(S)-(+)-1-CYCLOHEXYLETHYL ISOTHIOCYANATE Pricemore >>

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