Basic information
- CAS
40284-08-0- Standard SMILES
Cl.NC(CS)=NC1C2CC3CC(C2)CC1C3- InChIKey
HENARLBIUBUVMN-UHFFFAOYSA-N- Molecular formula
- C12H21ClN2S
- Average molar mass
- 260.83 g/mol
- Monoisotopic mass
- 260.1113975
Names & identifiers
- Preferred name
- Acetamidine, N-(2-adamantyl)-2-mercapto-, hydrochloride
- IUPAC
- N'-(2-adamantyl)-2-sulfanylethanimidamide;hydrochloride
Names & synonyms
Acetamidine, N-(2-adamantyl)-2-mercapto-, hydrochloride40284-08-0N-(2-Adamantyl)-2-mercaptoacetamidine hydrochlorideDTXSID50193294RefChem:315647DTXCID60115785CHEMBL3228647(1E)-N'-(Adamantan-2-yl)(sulfanyl)ethanimidamide--hydrogen chloride (1/1)
Database identifiers
- CAS
40284-08-0- PubChem CID
- 64346
- DTXSID
DTXSID50193294- ChEMBL
CHEMBL3228647
Properties
Computed structural properties
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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