1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-
Basic information
- CAS
69922-36-7- Standard SMILES
COc1ccc(C2SCCS2)cc1OC- InChIKey
GCEOBMQOSMEWSN-UHFFFAOYSA-N- Molecular formula
- C11H14O2S2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.04352203
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(3,4-dimethoxyphenyl)-
- IUPAC
- 2-(3,4-dimethoxyphenyl)-1,3-dithiolane
Names & synonyms
2-(3,4-Dimethoxyphenyl)-1,3-dithiolaneBRN 28464941,3-DITHIOLANE, 2-(3,4-DIMETHOXYPHENYL)-DTXSID00220201RefChem:219175DTXCID6014269269922-36-7SCHEMBL977882810.14272/GCEOBMQOSMEWSN-UHFFFAOYSA-N.1doi:10.14272/GCEOBMQOSMEWSN-UHFFFAOYSA-N.1
Database identifiers
- CAS
69922-36-7- PubChem CID
- 50928
- DTXSID
DTXSID00220201- Nikkaji
- J91.150J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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