Basic information
- CAS
324036-21-7- Standard SMILES
O=c1[nH]c(SCc2ccccc2)nc2sc3c(c12)CCCC3- InChIKey
IPZMSKIJUYVNKQ-UHFFFAOYSA-N- Molecular formula
- C17H16N2OS2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.07040549
Names & identifiers
- Preferred name
- 2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-benzylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
- Molecular formula
- C17H16N2OS2
- Molecular weight
- 328.45
Names & synonyms
324036-21-72-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one2-(Benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one2-benzylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONEAR-434/11843978DTXSID80354295STK721958AKOS003630401AKOS0273793282-(benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one2-(Benzylthio)-5,6,7,8-tetrahydro-[1]-benzo[2,3-d]pyrimidin-4(1H)-one
Show more names
2-(benzylsulfanyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]-pyrimidin-4(3H)-one[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-[(phenylmethyl)thio]-
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
RAMIDUS[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…