1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-
Basic information
- CAS
102107-39-1- Standard SMILES
COc1ccc(C2SCCS2)c(C)c1- InChIKey
PWMHSSUZLMTEDV-UHFFFAOYSA-N- Molecular formula
- C11H14OS2
- Average molar mass
- 226.4 g/mol
- Monoisotopic mass
- 226.04860741
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(4-methoxy-o-tolyl)-
- IUPAC
- 2-(4-methoxy-2-methylphenyl)-1,3-dithiolane
Names & synonyms
2-(4-Methoxy-o-tolyl)-1,3-dithiolane1,3-DITHIOLANE, 2-(4-METHOXY-o-TOLYL)-102107-39-1DTXSID10144646RefChem:219176DTXCID00671372-(4-methoxy-2-methylphenyl)-1,3-dithiolane
Database identifiers
- CAS
102107-39-1- PubChem CID
- 59223
- DTXSID
DTXSID10144646- Nikkaji
- J91.173I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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