6-Methoxy-2-methylthiochromen-4-one
Basic information
- CAS
16807-34-4- Standard SMILES
COc1ccc2sc(C)cc(=O)c2c1- InChIKey
ROBFYROKJJECAW-UHFFFAOYSA-N- Molecular formula
- C11H10O2S
- Average molar mass
- 206.26 g/mol
- Monoisotopic mass
- 206.04015073
Names & identifiers
- Preferred name
- 6-Methoxy-2-methylthiochromen-4-one
- IUPAC
- 6-methoxy-2-methylthiochromen-4-one
Names & synonyms
MLS00311594216807-34-4NSC318232CHEMBL2138154DTXSID20317566NSC-318232SMR0018315046-Methoxy-2-methyl-4H-1-benzothiopyran-4-one
Database identifiers
- CAS
16807-34-4- PubChem CID
- 330347
- DTXSID
DTXSID20317566- ChEMBL
CHEMBL2138154
Properties
Computed structural properties
- XLogP
- 2.4
- 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
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Related reactions
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Compound notes
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