Basic information
- CAS
22943-32-4- Standard SMILES
CSc1nnc(C)c(=O)n1C- InChIKey
RIVMBPHTDOBLPN-UHFFFAOYSA-N- Molecular formula
- C6H9N3OS
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.04663309
Names & identifiers
- Preferred name
- ST50101780
- IUPAC
- 4,6-dimethyl-3-methylsulfanyl-1,2,4-triazin-5-one
Names & synonyms
22943-32-4ST50101780DTXSID50339958RefChem:381563DTXCID202910391,2,4-Triazin-5(4H)-one, 4,6-dimethyl-3-(methylthio)-4,6-Dimethyl-3-methylthio-5-oxo-4,5-dihydro-triazine4,6-dimethyl-3-methylthio-1,2,4-triazin-5-oneSCHEMBL27295777RIVMBPHTDOBLPN-UHFFFAOYSA-NAKOS0022385544,6-Dimethyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Show more names
4,6-Dimethyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one #
Database identifiers
- CAS
22943-32-4- PubChem CID
- 560320
- DTXSID
DTXSID50339958
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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