1,3-Dithiolane, 2-phenyl-2-(2-thienyl)-
Basic information
- CAS
83521-87-3- Standard SMILES
c1ccc(C2(c3cccs3)SCCS2)cc1- InChIKey
XUAUFQHMFHDIDV-UHFFFAOYSA-N- Molecular formula
- C13H12S3
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.0101139
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-phenyl-2-(2-thienyl)-
- IUPAC
- 2-phenyl-2-thiophen-2-yl-1,3-dithiolane
- English name
- 1,3-DITHIOLANE, 2-PHENYL-2-(2-THIENYL)-
- Molecular formula
- C13H12S3
- Molecular weight
- 264.43
Names & synonyms
BRN 00148482-Phenyl-2-(2-thienyl)-1,3-dithiolane1,3-DITHIOLANE, 2-PHENYL-2-(2-THIENYL)-83521-87-3DTXSID202324224-19-00-04762 (Beilstein Handbook Reference)RefChem:219196DTXCID201549132-phenyl-2-(thiophen-2-yl)-1,3-dithiolane
Database identifiers
- CAS
83521-87-3- PubChem CID
- 55025
- DTXSID
DTXSID20232422- Nikkaji
- J91.193C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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