7,9-Dimethyl-2-[(4-methylbenzyl)sulfanyl]-4-(phenylsulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Basic information
- CAS
672950-73-1- Standard SMILES
Cc1ccc(CSc2nc(Sc3ccccc3)c3sc4nc(C)cc(C)c4c3n2)cc1- InChIKey
BPXOOYUHWRNJGW-UHFFFAOYSA-N- Molecular formula
- C25H21N3S3
- Average molar mass
- 459.7 g/mol
- Monoisotopic mass
- 459.0897612
Names & identifiers
- Preferred name
- 7,9-Dimethyl-2-[(4-methylbenzyl)sulfanyl]-4-(phenylsulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
- IUPAC
- 11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-6-phenylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
- English name
- 7,9-DIMETHYL-2-[(4-METHYLBENZYL)SULFANYL]-4-(PHENYLSULFANYL)PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE
- Molecular formula
- C25H21N3S3
- Molecular weight
- 459.65
Names & synonyms
672950-73-111,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(phenylsulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene7,9-dimethyl-2-[(4-methylbenzyl)sulfanyl]-4-(phenylsulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-6-phenylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaeneAKOS0050946245R-13157,9-Dimethyl-2-((4-methylbenzyl)thio)-4-(phenylthio)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine7,9-DIMETHYL-2-[(4-METHYLBENZYL)SULFANYL]PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL PHENYL SULFIDEPyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 7,9-dimethyl-2-[[(4-methylphenyl)methyl]thio]-4-(phenylthio)-
Database identifiers
- CAS
672950-73-1- PubChem CID
- 3743825
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 683.5 · 683.5±65.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 1.82 · 1.82±0.50(Predicted)
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Compound notes
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