6-(Benzylsulfanyl)-5-(butylsulfanyl)-1,2,4-triazin-3(2h)-one
Basic information
- CAS
23469-27-4- Standard SMILES
CCCCSc1nc(=O)[nH]nc1SCc1ccccc1- InChIKey
CDPWEKFMAGUZJW-UHFFFAOYSA-N- Molecular formula
- C14H17N3OS2
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.08130452
Names & identifiers
- Preferred name
- 6-(Benzylsulfanyl)-5-(butylsulfanyl)-1,2,4-triazin-3(2h)-one
- IUPAC
- 6-benzylsulfanyl-5-butylsulfanyl-2H-1,2,4-triazin-3-one
Names & synonyms
23469-27-46-(benzylsulfanyl)-5-(butylsulfanyl)-1,2,4-triazin-3(2h)-oneNSC118352DTXSID00297817NSC-118352
Database identifiers
- CAS
23469-27-4- PubChem CID
- 273252
- DTXSID
DTXSID00297817
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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