Basic information
- CAS
921765-50-6- Standard SMILES
Cc1ccc(S(=O)c2cccs2)cc1- InChIKey
UEYSPGXYOFYNGQ-UHFFFAOYSA-N- Molecular formula
- C11H10OS2
- Average molar mass
- 222.3 g/mol
- Monoisotopic mass
- 222.01730729
Names & identifiers
- Preferred name
- 2-((4-Methylphenyl)sulfinyl)thiophene
- IUPAC
- 2-(4-methylphenyl)sulfinylthiophene
Names & synonyms
NSC6550482-((4-Methylphenyl)sulfinyl)thiophene921765-50-62-(p-tolylsulfinyl)thiopheneCHEMBL1979104SCHEMBL30006285DTXSID703274184-Methylphenyl 2-thienyl sulfoxideNSC-6550482-(4-Methylbenzene-1-sulfinyl)thiopheneNCI60_019029InChI=1/C11H10OS2/c1-9-4-6-10(7-5-9)14(12)11-3-2-8-13-11/h2-8H,1H
Database identifiers
- CAS
921765-50-6- PubChem CID
- 375378
- DTXSID
DTXSID70327418- ChEMBL
CHEMBL1979104- Nikkaji
- J837.353A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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