Basic information
- CAS
60833-81-0- Standard SMILES
NC(CS)=NCC12CC3CC(CC(C3)C1)C2- InChIKey
IMSBTGCLUSHNQN-UHFFFAOYSA-N- Molecular formula
- C13H22N2S
- Average molar mass
- 238.39 g/mol
- Monoisotopic mass
- 238.15036988
Names & identifiers
- Preferred name
- WR 109342
- IUPAC
- N'-(1-adamantylmethyl)-2-sulfanylethanimidamide
- English name
- 2-Mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)ethanimidamide
- Molecular formula
- C13H22N2S
- Molecular weight
- 238.39
Names & synonyms
WR 10934260833-81-0WR-109342DTXSID10209668RefChem:194993DTXCID601321592-Mercapto-N-(tricyclo(3.3.1.1(3,7))dec-1-ylmethyl)ethanimidamideCHEMBL33041592-Mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)ethanimidamideDB-293194(1E)-N'-[(Adamantan-1-yl)methyl](sulfanyl)ethanimidamideEthanimidamide, 2-mercapto-N-(tricyclo(3.3.1.1(3,7))dec-1-ylmethyl)-
Show more names
N1-(Adamantyl-(1)-methyl)-α-mercapto-acetamidinEthanimidamide, 2-mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-
Database identifiers
- CAS
60833-81-0- PubChem CID
- 64186
- DTXSID
DTXSID10209668- ChEMBL
CHEMBL3304159- Nikkaji
- J23.875I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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