1,3-Dithiolane, 2-(2,4-xylyl)-
Basic information
- CAS
83521-73-7- Standard SMILES
Cc1ccc(C2SCCS2)c(C)c1- InChIKey
TYVFJOFGAWUPTR-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(2,4-xylyl)-
- IUPAC
- 2-(2,4-dimethylphenyl)-1,3-dithiolane
Names & synonyms
2-(2,4-Xylyl)-1,3-dithiolane83521-73-71,3-DITHIOLANE, 2-(2,4-XYLYL)-BRN 5518184DTXSID60232421RefChem:219169DTXCID601549122-(2,4-dimethylphenyl)-1,3-dithiolaneSCHEMBL21322048
Database identifiers
- CAS
83521-73-7- PubChem CID
- 55018
- DTXSID
DTXSID60232421- Nikkaji
- J91.195J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
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Compound notes
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