Acetic acid;5-(1,3-dithiolan-2-yl)benzene-1,3-diol
Basic information
- CAS
60081-19-8- Standard SMILES
CC(=O)O.CC(=O)O.Oc1cc(O)cc(C2SCCS2)c1- InChIKey
LDAOSDGOFUFZER-UHFFFAOYSA-N- Molecular formula
- C13H18O6S2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.05448064
Names & identifiers
- Preferred name
- Acetic acid;5-(1,3-dithiolan-2-yl)benzene-1,3-diol
- IUPAC
- acetic acid;5-(1,3-dithiolan-2-yl)benzene-1,3-diol
Names & synonyms
60081-19-8DTXSID30822378Acetic acid--5-(1,3-dithiolan-2-yl)benzene-1,3-diol (2/1)
Database identifiers
- CAS
60081-19-8- PubChem CID
- 71401151
- DTXSID
DTXSID30822378
Properties
Computed structural properties
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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