6-butylsulfanyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
Basic information
- CAS
32331-16-1- Standard SMILES
CCCCSc1n[nH]c(=O)nc1SC- InChIKey
PRRXSRXNECKEPC-UHFFFAOYSA-N- Molecular formula
- C8H13N3OS2
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.05000439
Names & identifiers
- Preferred name
- 6-butylsulfanyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
- IUPAC
- 6-butylsulfanyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
Names & synonyms
32331-16-1NSC118358DTXSID70954122NSC-1183586-(Butylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3-ol
Database identifiers
- CAS
32331-16-1- PubChem CID
- 273258
- DTXSID
DTXSID70954122
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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