Basic information
- CAS
40284-10-4- Standard SMILES
Cl.NC(CS)=NCCCC12CC3CC(CC(C3)C1)C2- InChIKey
JDPIYUBQEKGSRE-UHFFFAOYSA-N- Molecular formula
- C15H27ClN2S
- Average molar mass
- 302.9 g/mol
- Monoisotopic mass
- 302.1583477
Names & identifiers
- Preferred name
- Acetamidine, N-(3-(1-adamantyl)propyl)-2-mercapto-, hydrochloride
- IUPAC
- N'-[3-(1-adamantyl)propyl]-2-sulfanylethanimidamide;hydrochloride
Names & synonyms
Acetamidine, N-(3-(1-adamantyl)propyl)-2-mercapto-, hydrochloride40284-10-4N-(3-(1-Adamantyl)propyl)-2-mercaptoacetamidine hydrochlorideDTXSID10193295Ethanimidamide, 2-mercapto-N-(3-tricyclo(3.3.1.13,7)dec-1-ylpropyl)-, monohydrochlorideRefChem:315649DTXCID20115786CHEMBL3228651(1E)-N'-[3-(Adamantan-1-yl)propyl](sulfanyl)ethanimidamide--hydrogen chloride (1/1)
Database identifiers
- CAS
40284-10-4- PubChem CID
- 64348
- DTXSID
DTXSID10193295- ChEMBL
CHEMBL3228651
Properties
Computed structural properties
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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