2H-1,3-Benzodithiol-2-ol
Basic information
- CAS
52927-24-9- Standard SMILES
OC1Sc2ccccc2S1- InChIKey
NCHFTZBIJDTZHB-UHFFFAOYSA-N- Molecular formula
- C7H6OS2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 169.98600716
Names & identifiers
- Preferred name
- 2H-1,3-Benzodithiol-2-ol
- IUPAC
- 1,3-benzodithiol-2-ol
Names & synonyms
2H-1,3-Benzodithiol-2-ol52927-24-9SCHEMBL7739423SCHEMBL11982524DTXSID40850920
Database identifiers
- CAS
52927-24-9- PubChem CID
- 71442013
- DTXSID
DTXSID40850920
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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