Basic information
- Standard SMILES
COCc1ccc(-c2cnnc(SC)n2)cc1- InChIKey
AYOHGKSFANRCNK-UHFFFAOYSA-N- Molecular formula
- C12H13N3OS
- Average molar mass
- 247.32 g/mol
Names & identifiers
- Preferred name
- 5-[4-(Methoxymethyl)phenyl]-3-(methylsulfanyl)-1,2,4-triazine
- IUPAC
- 5-[4-(methoxymethyl)phenyl]-3-methylsulfanyl-1,2,4-triazine
Names & synonyms
SCHEMBL2326754AYOHGKSFANRCNK-UHFFFAOYSA-NDB-1856125-[4-(Methoxymethyl)phenyl]-3-(methylthio)-1,2,4-triazine5-[4-(methoxymethyl)phenyl]-3-(methylsulfanyl)-1,2,4-triazine1321517-33-2
Database identifiers
- PubChem CID
- 67364981
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
2 records
Compound notes
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