Adamantane-1-carbonyl isothiocyanate

Base Information

• Chemical Name: Adamantane-1-carbonyl isothiocyanate
• CAS No.: 54979-99-6
• Molecular Formula: C₁₂H₁₅NOS
• Molecular Weight: 221.323
• DSSTox Substance ID: DTXSID10558986
• Mol file: 54979-99-6.mol

Synonyms:ADAMANTANE-1-CARBONYL ISOTHIOCYANATE;54979-99-6;adamantanecarbonyl isothiocyanate;SCHEMBL3714041;DTXSID10558986;MFCD09035446;AKOS004120288;LS-11938;EN300-04731;G23891;Tricyclo[3.3.1.1~3,7~]decane-1-carbonyl isothiocyanate

Chemical Property of Adamantane-1-carbonyl isothiocyanate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.08743528
• Heavy Atom Count: 15
• Complexity: 315

Purity/Quality:

Adamantane-1-carbonyl isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)N=C=S