(1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-2-methyl-3-(p-tolyl)-
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Basic information
- CAS
34387-07-0- Standard SMILES
Cc1ccc(-n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1- InChIKey
YRWWUTIFTAESJM-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.11398438
Names & identifiers
- Preferred name
- (1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-2-methyl-3-(p-tolyl)-
- IUPAC
- 2-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 5,6,7,8-Tetrahydro-2-methyl-3-(4-methylphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C18H18N2OS
- Molecular weight
- 310.41
Names & synonyms
34387-07-0BRN 0556187(1)BENZOTHIENO(2,3-d)PYRIMIDIN-4-ONE, 5,6,7,8-TETRAHYDRO-2-METHYL-3-(p-TOLYL)-DTXSID101879572-Methyl-4-oxo-3-(p-tolyl)-5,6-tetramethylenethieno(2,3-d)pyrimidineRefChem:203870DTXCID701104482-methyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one5,6,7,8-Tetrahydro-2-methyl-3-(4-methylphenyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-methyl-3-(4-methylphenyl)-
Database identifiers
- CAS
34387-07-0- PubChem CID
- 36817
- DTXSID
DTXSID10187957- Nikkaji
- J41.939G
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Melting point
- 202 °C · 202 °C
- Boiling point
- 524.6 · 524.6±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 0.05 · 0.05±0.20(Predicted)
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Compound notes
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