N-[(3,5-dimethyl-1-adamantyl)methyl]-2-sulfanyl-acetamidine
Basic information
- CAS
40284-11-5- Standard SMILES
CC12CC3CC(C)(C1)CC(CN=C(N)CS)(C3)C2- InChIKey
FYHWBKXCPOZIBZ-UHFFFAOYSA-N- Molecular formula
- C15H26N2S
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.18167001
Names & identifiers
- Preferred name
- N-[(3,5-dimethyl-1-adamantyl)methyl]-2-sulfanyl-acetamidine
- IUPAC
- N'-[(3,5-dimethyl-1-adamantyl)methyl]-2-sulfanylethanimidamide
Names & synonyms
NSC193467Ethanimidamide, N-[(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)methyl]-2-mercapto-N-[(3,5-dimethyl-1-adamantyl)methyl]-2-sulfanyl-acetamidine
Database identifiers
- CAS
40284-11-5- PubChem CID
- 64351
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
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Compound notes
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