Basic information
- CAS
84615-34-9- Standard SMILES
O=C1C=CC(=S)C=C1- InChIKey
IHCMWJVAKYLRGL-UHFFFAOYSA-N- Molecular formula
- C6H4OS
- Average molar mass
- 124.16 g/mol
- Monoisotopic mass
- 123.99828592
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 4-thioxo-
- IUPAC
- 4-sulfanylidenecyclohexa-2,5-dien-1-one
Names & synonyms
2,5-Cyclohexadien-1-one, 4-thioxo-84615-34-9DTXSID70275708RefChem:247189DTXCID502271094-sulfanylidenecyclohexa-2,5-dien-1-onethiobenzoquinoneSCHEMBL4620019
Database identifiers
- CAS
84615-34-9- PubChem CID
- 69482
- DTXSID
DTXSID70275708- Nikkaji
- J729.215E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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