6-Hydroxy-1,3-benzodioxole-5-carbodithioic acid
Basic information
- CAS
1207740-49-5- Standard SMILES
Oc1cc2c(cc1C(=S)S)OCO2- InChIKey
BUBZSRWDQZIVMS-UHFFFAOYSA-N- Molecular formula
- C8H6O3S2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 213.9758364
Names & identifiers
- Preferred name
- 6-Hydroxy-1,3-benzodioxole-5-carbodithioic acid
- IUPAC
- 6-hydroxy-1,3-benzodioxole-5-carbodithioic acid
Names & synonyms
SCHEMBL12255511DTXSID4012409186-Hydroxy-1,3-benzodioxole-5-carbodithioic acid6-Hydroxy-2H-1,3-benzodioxole-5-carbodithioic acid1207740-49-5
Database identifiers
- CAS
1207740-49-5- PubChem CID
- 136147671
- DTXSID
DTXSID401240918
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…