5H-Thieno[2,3-c]thiopyran-4(7H)-one
Basic information
- CAS
49847-02-1- Standard SMILES
O=C1CSCc2sccc21- InChIKey
CVHNXSJXGCMRKF-UHFFFAOYSA-N- Molecular formula
- C7H6OS2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 169.98600716
Names & identifiers
- Preferred name
- 5H-Thieno[2,3-c]thiopyran-4(7H)-one
- IUPAC
- 7H-thieno[2,3-c]thiopyran-4-one
Names & synonyms
5H-Thieno[2,3-c]thiopyran-4(7H)-one7H-thieno[2,3-c]thiopyran-4-oneNSC603977SCHEMBL2435080CHEMBL1971491DTXSID7012922497H-thieno[3,2-d]thiopyran-4-oneNSC-60397749847-02-17h-thieno-[2,3-c]thiopyran-4(5h)-oneNCI60_004612
Database identifiers
- CAS
49847-02-1- PubChem CID
- 354029
- DTXSID
DTXSID701292249- ChEMBL
CHEMBL1971491- Nikkaji
- J1.203.164E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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