Basic information
- CAS
22545-60-4- Standard SMILES
Cl.NC(CS)=NCC12CC3CC(CC(C3)C1)C2- InChIKey
JAUBBHIDNRDRIK-UHFFFAOYSA-N- Molecular formula
- C13H23ClN2S
- Average molar mass
- 274.85 g/mol
- Monoisotopic mass
- 274.1270476
Names & identifiers
- Preferred name
- Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride
- IUPAC
- N'-(1-adamantylmethyl)-2-sulfanylethanimidamide;hydrochloride
Names & synonyms
NSC 193461Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride22545-60-4N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochlorideAcetamidine, N-(1-adamantylmethyl)-2-mercapto-, monohydrochlorideDTXSID50177079Ethanimidamide, 2-mercapto-N-(tricyclo(3.3.1.13,7)dec-1-ylmethyl)-, monohydrochlorideRefChem:315646DTXCID0099570Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, monohydrochloride (8CI)Ethanimidamide, 2-mercapto-N-(tricyclo(3.3.1.13,7)dec-1-ylmethyl)-, monohydrochloride (9CI)CHEMBL3228648
Show more names
SCHEMBL11532659NSC193461NSC-193461Ethanimidamide,7]dec-1-ylmethyl)-, monohydrochloride(1E)-N'-[(Adamantan-1-yl)methyl](sulfanyl)ethanimidamide--hydrogen chloride (1/1)
Database identifiers
- CAS
22545-60-4- PubChem CID
- 64185
- DTXSID
DTXSID50177079- ChEMBL
CHEMBL3228648
Properties
Computed structural properties
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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