Basic information
- Standard SMILES
CSc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1- InChIKey
LCKCHOMHDSHDJF-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2N3OS
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 350.99998833
Names & identifiers
- Preferred name
- 6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
- IUPAC
- 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
- English name
- 6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
- Molecular formula
- C15H11Cl2N3OS
- Molecular weight
- 352.24
Names & synonyms
185039-46-76-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-oneLCKCHOMHDSHDJF-UHFFFAOYSA-NSCHEMBL5761991SCHEMBL30618265DTXSID10444193DA-36903F951566-(2,6-Dichlorophenyl)-8-methyl-2-(methylsulfanyl)pyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido-[2,3-d]pyrimidin-7-one6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
Show more names
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)-6-(2,6-dichlorophenyl)-8-methyl-2-(methylsulfanyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
Database identifiers
- CAS
185039-46-7- PubChem CID
- 10736701
- DTXSID
DTXSID10444193- Nikkaji
- J2.304.588E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Melting point
- 208 °C · >208°C (dec.)
- Boiling point
- 512.5 · 512.5±50.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, DMSO, Methanol
- pka
- 1.5 · 1.50±0.20(Predicted)
- form
- Solid
- color
- Off-White
Chemistry & industry
Applications
UsesAn intermediate in the preparation of antitumor agents and tyrosine kinase inhibitors
Suppliers13 total
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
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合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
41 records
Linked notes
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