5,6-Bis[4-(dimethylamino)phenyl]-1,2,4-triazine-3(2H)-thione
Basic information
- CAS
59663-54-6- Standard SMILES
CN(C)c1ccc(-c2n[nH]c(=S)nc2-c2ccc(N(C)C)cc2)cc1- InChIKey
SFAJKKVNFYOQKN-UHFFFAOYSA-N- Molecular formula
- C19H21N5S
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.15176686
Names & identifiers
- Preferred name
- 5,6-Bis[4-(dimethylamino)phenyl]-1,2,4-triazine-3(2H)-thione
- IUPAC
- 5,6-bis[4-(dimethylamino)phenyl]-2H-1,2,4-triazine-3-thione
Names & synonyms
59663-54-6SCHEMBL11742675DTXSID006141815,6-Bis[4-(dimethylamino)phenyl]-1,2,4-triazine-3(2H)-thione
Database identifiers
- CAS
59663-54-6- PubChem CID
- 21453871
- DTXSID
DTXSID00614181
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…