Basic information
- CAS
686770-81-0- Standard SMILES
CCCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2- InChIKey
RFJZKWIAOIBWJA-UHFFFAOYSA-N- Molecular formula
- C16H18N2OS2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.08605555
Names & identifiers
- Preferred name
- 2-Butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
- IUPAC
- 2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Names & synonyms
686770-81-02-(Butylthio)-6,7-dihydro-3-phenylthieno[3,2-d]pyrimidin-4(3H)-oneCHEMBL3955950SCHEMBL16200699BDBM86643DTXSID3011639292-(butylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one2-butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-oneAKOS024584760BC11-38-1EU-0022193SR-01000120181
Show more names
SR-01000120181-1F0579-00622-(butylsulfanyl)-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one2-(Butylsulfanyl)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-oneThieno[3,2-d]pyrimidin-4(3H)-one, 2-(butylthio)-6,7-dihydro-3-phenyl-
Database identifiers
- CAS
686770-81-0- PubChem CID
- 2155145
- DTXSID
DTXSID301163929- ChEMBL
CHEMBL3955950
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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