6-benzylsulfanyl-4-methylsulfanyl-1H-1,3,5-triazin-2-one
Basic information
- CAS
32683-77-5- Standard SMILES
CSc1nc(SCc2ccccc2)[nH]c(=O)n1- InChIKey
OPWNOYLGBKRDKJ-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS2
- Average molar mass
- 265.4 g/mol
- Monoisotopic mass
- 265.03435433
Names & identifiers
- Preferred name
- 6-benzylsulfanyl-4-methylsulfanyl-1H-1,3,5-triazin-2-one
- IUPAC
- 6-benzylsulfanyl-4-methylsulfanyl-1H-1,3,5-triazin-2-one
Names & synonyms
MLS00310713332683-77-5NSC201864CHEMBL2356629DTXSID90308067NSC-201864SMR0018220116-(Benzylsulfanyl)-4-(methylsulfanyl)-1,3,5-triazin-2(1H)-one
Database identifiers
- CAS
32683-77-5- PubChem CID
- 305115
- DTXSID
DTXSID90308067- ChEMBL
CHEMBL2356629
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…