6-Methyl-4H-1-benzothiopyran-4-one
Basic information
- CAS
1076-31-9- Standard SMILES
Cc1ccc2sccc(=O)c2c1- InChIKey
SBFJYNRHUCIGGY-UHFFFAOYSA-N- Molecular formula
- C10H8OS
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.02958605
Names & identifiers
- Preferred name
- 6-Methyl-4H-1-benzothiopyran-4-one
- IUPAC
- 6-methylthiochromen-4-one
Names & synonyms
1076-31-96-Methyl-4H-1-benzothiopyran-4-oneDTXSID90323179RefChem:309027DTXCID902742986-methyl-4H-thiochromen-4-one6-methylthiochromen-4-oneNSC403298SCHEMBL29595650NSC-403298CS-0081200
Database identifiers
- CAS
1076-31-9- PubChem CID
- 345592
- DTXSID
DTXSID90323179
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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