2,3,7,8-Thianthrenetetrol
Basic information
- CAS
24066-96-4- Standard SMILES
Oc1cc2c(cc1O)Sc1cc(O)c(O)cc1S2- InChIKey
KPWWYSXDMXFVIW-UHFFFAOYSA-N- Molecular formula
- C12H8O4S2
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 279.98640108
Names & identifiers
- Preferred name
- 2,3,7,8-Thianthrenetetrol
- IUPAC
- thianthrene-2,3,7,8-tetrol
Names & synonyms
2,3,7,8-Thianthrenetetrol24066-96-4DTXSID10372700RefChem:244302DTXCID10323732thianthrene-2,3,7,8-tetrolThianthrene-2,3,7,8-tetraolSCHEMBL86028512,3,7,8-tetrahydroxythianthreneAKOS004903490
Database identifiers
- CAS
24066-96-4- PubChem CID
- 2748003
- DTXSID
DTXSID10372700- Nikkaji
- J1.654.242C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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