Thieno(2,3-d)pyrimidin-4(1H)-one, 2,3-dihydro-3-ethyl-5-phenyl-2-thioxo-
Basic information
- CAS
132605-28-8- Standard SMILES
CCn1c(=S)[nH]c2scc(-c3ccccc3)c2c1=O- InChIKey
KJXBXAGTUNSNBE-UHFFFAOYSA-N- Molecular formula
- C14H12N2OS2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.03910536
Names & identifiers
- Preferred name
- Thieno(2,3-d)pyrimidin-4(1H)-one, 2,3-dihydro-3-ethyl-5-phenyl-2-thioxo-
- IUPAC
- 3-ethyl-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
- English name
- 3-ethyl-5-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
- Molecular formula
- C14H12N2OS2
- Molecular weight
- 288.39
Names & synonyms
132605-28-8BRN 4194014Thieno(2,3-d)pyrimidin-4(1H)-one, 2,3-dihydro-3-ethyl-5-phenyl-2-thioxo-DTXSID401576682,3-Dihydro-3-ethyl-5-phenyl-2-thioxothieno(2,3-d)pyrimidin-4(1H)-oneRefChem:384949DTXCID60801593-ethyl-5-phenyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one3-Ethyl-2-mercapto-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one3-ethyl-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one3-ethyl-5-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-oneNSC622292
Show more names
Thieno[2,3-d]pyrimidin-4(1H)-one, 3-ethyl-2,3-dihydro-5-phenyl-2-thioxo-
Oprea1_305949SBB078045AKOS000116473AKOS001054283NSC-622292EU-0078941EN300-05553AF-399/40908545
Database identifiers
- CAS
132605-28-8- PubChem CID
- 711098
- DTXSID
DTXSID40157668- Nikkaji
- J359.404A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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