Basic information
- CAS
69466-73-5- Standard SMILES
CSc1nncc(C23CC4CC(CC(C4)C2)C3)n1- InChIKey
PLGAXNZNSQOSLV-UHFFFAOYSA-N- Molecular formula
- C14H19N3S
- Average molar mass
- 261.39 g/mol
- Monoisotopic mass
- 261.12996879
Names & identifiers
- Preferred name
- as-Triazine, 5-(1-adamantyl)-3-(methylthio)-
- IUPAC
- 5-(1-adamantyl)-3-methylsulfanyl-1,2,4-triazine
Names & synonyms
as-Triazine, 5-(1-adamantyl)-3-(methylthio)-BRN 06677585-(1-Adamantyl)-3-(methylthio)-as-triazine69466-73-5DTXSID002196555-26-03-00298 (Beilstein Handbook Reference)1,2,4-Triazine, 3-(methylthio)-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-RefChem:320149DTXCID501421461,2,4-Triazine, 3-(methylthio)-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-(9CI)SCHEMBL113393955-(Adamantan-1-yl)-3-(methylsulfanyl)-1,2,4-triazine
Database identifiers
- CAS
69466-73-5- PubChem CID
- 64480
- DTXSID
DTXSID00219655- Nikkaji
- J90.928I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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