Basic information
- CAS
40053-33-6- Standard SMILES
COc1ccc2c(C)cc(=O)sc2c1- InChIKey
HFSLDLGYCGAFHN-UHFFFAOYSA-N- Molecular formula
- C11H10O2S
- Average molar mass
- 206.26 g/mol
- Monoisotopic mass
- 206.04015073
Names & identifiers
- Preferred name
- Mls003115943
- IUPAC
- 7-methoxy-4-methylthiochromen-2-one
Names & synonyms
MLS00311594340053-33-6DTXSID80317567RefChem:357327DTXCID70268690NSC318233CHEMBL2142812NSC-318233SMR0018315057-Methoxy-4-methyl-2H-1-benzothiopyran-2-one
Database identifiers
- CAS
40053-33-6- PubChem CID
- 330348
- DTXSID
DTXSID80317567- ChEMBL
CHEMBL2142812
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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