Basic information
- CAS
774462-47-4- Standard SMILES
CSc1ncc2c(C)nc(-c3ccccc3)n2n1- InChIKey
ZRUCUPQGMSDHPV-UHFFFAOYSA-N- Molecular formula
- C13H12N4S
- Average molar mass
- 256.33 g/mol
- Monoisotopic mass
- 256.07826757
Names & identifiers
- Preferred name
- 5-Methyl-2-(methylthio)-7-phenylimidazo[5,1-F][1,2,4]triazine
- IUPAC
- 5-methyl-2-methylsulfanyl-7-phenylimidazo[5,1-f][1,2,4]triazine
- English name
- 5-Methyl-2-(methylthio)-7-phenylimidazo[5,1-f][1,2,4]triazine
- Molecular formula
- C13H12N4S
- Molecular weight
- 256.332
Names & synonyms
774462-47-45-METHYL-2-(METHYLTHIO)-7-PHENYLIMIDAZO[5,1-F][1,2,4]TRIAZINE5-methyl-2-methylsulfanyl-7-phenylimidazo[5,1-f][1,2,4]triazineSCHEMBL3994771DTXSID60703767ZRUCUPQGMSDHPV-UHFFFAOYSA-N5-Methyl-2-(methylsulfanyl)-7-phenylimidazo[5,1-f][1,2,4]triazine5-methyl-2-(methylthio) -7-phenylimidazo [1,5-f][1,2,4]triazine
Database identifiers
- CAS
774462-47-4- PubChem CID
- 53471832
- DTXSID
DTXSID60703767
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Chemistry & industry
Suppliers1 total
苏州诺行贸易有限公司[email protected]
Related reactions
25 records
Compound notes
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