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Basic information
- CAS
1454682-76-8- Standard SMILES
CSc1ncc2cc(OS(=O)(=O)C(F)(F)F)c(C)nc2n1- InChIKey
KSOYQIUBKFMXOE-UHFFFAOYSA-N- Molecular formula
- C10H8F3N3O3S2
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 338.99591778
Names & identifiers
- Preferred name
- 7-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-6-yl trifluoromethanesulfonate
- IUPAC
- (7-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate
Names & synonyms
1454682-76-87-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-6-yl trifluoromethanesulfonate(7-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate7-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-6-yltrifluoromethanesulfonateSCHEMBL15263389SCHEMBL29427263DTXSID301131706DB-1244527-Methyl-2-(methylsulfanyl)pyrido[2,3-d]pyrimidin-6-yl trifluoromethanesulfonate7-Methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-6-yl 1,1,1-trifluoromethanesulfonate
Database identifiers
- CAS
1454682-76-8- PubChem CID
- 89809228
- DTXSID
DTXSID301131706
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 468
Related reactions
3 records
Compound notes
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