Cas no 81542-16-7 (Cycloheptyl Isothiocyanate)

Cycloheptyl Isothiocyanate structure
Cycloheptyl Isothiocyanate structure
Product Name:Cycloheptyl Isothiocyanate
CAS No:81542-16-7
MF:C8H13NS
MW:155.26052069664
MDL:MFCD00041032
CID:720276
PubChem ID:2795376
Update Time:2025-04-19

Cycloheptyl Isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Cycloheptane,isothiocyanato-
    • Cycloheptyl isothiocyanate
    • isothiocyanatocycloheptane
    • Cycloheptane,isothiocyanato
    • DTXSID00383643
    • Cycloheptylisothiocyanate
    • FS-4611
    • 81542-16-7
    • SCHEMBL5970910
    • AKOS003353252
    • EN300-1232872
    • FT-0641831
    • A840156
    • MFCD00041032
    • G29357
    • Cycloheptyl Isothiocyanate
    • MDL： MFCD00041032
    • Inchi： 1S/C8H13NS/c10-7-9-8-5-3-1-2-4-6-8/h8H,1-6H2
    • InChI Key： ZGNJAJWMDQTLQC-UHFFFAOYSA-N
    • SMILES： S=C=NC1CCCCCC1

Computed Properties

  • Exact Mass: 155.07700
  • Monoisotopic Mass: 155.07687059g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 130
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.9
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1,03 g/cm3
  • Boiling Point: 88 °C
  • Refractive Index: 1.5414
  • PSA: 44.45000
  • LogP: 2.81200
  • Solubility: Not determined

Cycloheptyl Isothiocyanate Security Information

  • HazardClass：IRRITANT-HARMFUL

Cycloheptyl Isothiocyanate 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%

Cycloheptyl Isothiocyanate Pricemore >>

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