Cas no 516455-87-1 (1-(1-Isothiocyanatoethyl)adamantane)

1-(1-Isothiocyanatoethyl)adamantane structure
516455-87-1 structure
Product Name:1-(1-Isothiocyanatoethyl)adamantane
CAS No:516455-87-1
MF:C13H19NS
MW:221.361662149429
MDL:MFCD03759901
CID:3029080
PubChem ID:3370241
Update Time:2025-04-21

1-(1-Isothiocyanatoethyl)adamantane Chemical and Physical Properties

Names and Identifiers

    • MFCD03759901
    • H29783
    • AKOS003827056
    • 1-(1-isothiocyanatoethyl)adamantane
    • tricyclo[3.3.1.1~3,7~]decane, 1-(1-isothiocyanatoethyl)-
    • CHEMBL5080483
    • LS-03731
    • 516455-87-1
    • 1-(1-isothiocyanatoethyl)tricyclo[3.3.1.1~3,7~]decane
    • ALBB-011895
    • STK164677
    • 1-(1-Isothiocyanatoethyl)adamantane
    • MDL: MFCD03759901
    • Inchi: 1S/C13H19NS/c1-9(14-8-15)13-5-10-2-11(6-13)4-12(3-10)7-13/h9-12H,2-7H2,1H3
    • InChI Key: NPQQRDNZDAFARW-UHFFFAOYSA-N
    • SMILES: S=C=NC(C)C12CC3CC(CC(C3)C1)C2

Computed Properties

  • Exact Mass: 221.12382078Da
  • Monoisotopic Mass: 221.12382078Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 275
  • 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: 4.9
  • Topological Polar Surface Area: 44.5?2

1-(1-Isothiocyanatoethyl)adamantane Security Information

  • HazardClass:IRRITANT

1-(1-Isothiocyanatoethyl)adamantane Pricemore >>

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1-(1-Isothiocyanatoethyl)adamantane Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:516455-87-1)1-(1-Isothiocyanatoethyl)adamantane
Order Number:A1162559
Stock Status:in Stock
Quantity:500mg/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 00:12
Price ($):159.0/188.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:516455-87-1)1-(1-Isothiocyanatoethyl)adamantane
A1162559
Purity:99%/99%
Quantity:500mg/1g
Price ($):159.0/188.0
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