Basic information
- CAS
66298-50-8- Standard SMILES
COc1cc2ccccc2c(=S)s1- InChIKey
HWUBYUZVWVAUOZ-UHFFFAOYSA-N- Molecular formula
- C10H8OS2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.00165722
Names & identifiers
- Preferred name
- 3-Methoxy-1H-2-benzothiopyran-1-thione
- IUPAC
- 3-methoxyisothiochromene-1-thione
Names & synonyms
66298-50-83-Methoxy-1H-2-benzothiopyran-1-thioneDTXSID80494882
Database identifiers
- CAS
66298-50-8- PubChem CID
- 12371758
- DTXSID
DTXSID80494882
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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