2,6-Dimethyl-4h-thiochromen-4-one
Basic information
- CAS
774-34-5- Standard SMILES
Cc1ccc2sc(C)cc(=O)c2c1- InChIKey
OXEMHEHSVZGMTH-UHFFFAOYSA-N- Molecular formula
- C11H10OS
- Average molar mass
- 190.26 g/mol
- Monoisotopic mass
- 190.04523611
Names & identifiers
- Preferred name
- 2,6-Dimethyl-4h-thiochromen-4-one
- IUPAC
- 2,6-dimethylthiochromen-4-one
Names & synonyms
774-34-5MLS0027040862,6-dimethyl-4h-thiochromen-4-oneNSC108757CHEMBL1729584DTXSID40296309NSC-108757SMR0015707932,6-Dimethyl-4H-1-benzothiopyran-4-one
Database identifiers
- CAS
774-34-5- PubChem CID
- 268504
- DTXSID
DTXSID40296309- ChEMBL
CHEMBL1729584- Nikkaji
- J466.214H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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