Basic information
- CAS
250609-29-1- Standard SMILES
Cc1cc(Cc2ccccc2)sc1C- InChIKey
BIHYFOLIQODFPD-UHFFFAOYSA-N- Molecular formula
- C13H14S
- Average molar mass
- 202.32 g/mol
- Monoisotopic mass
- 202.08162145
Names & identifiers
- Preferred name
- 2,3-Dimethyl-5-benzylthiophene
- IUPAC
- 5-benzyl-2,3-dimethylthiophene
- English name
- 2,3-DIMETHYL-5-BENZYL THIOPHENE
- Molecular formula
- C13H14S
- Molecular weight
- 202.32
Names & synonyms
2,3-dimethyl-5-benzylthiophene250609-29-15-Benzyl-2,3-dimethylthiopheneSCHEMBL56863192-Benzyl-4,5 dimethylthiophene2-Benzyl-4,5-dimethylthiophene2-Benzyl-4.5-dimethylthiopheneSCHEMBL28290932DTXSID504371802-Benzyl-4, 5 dimethylthiopheneBIHYFOLIQODFPD-UHFFFAOYSA-N2-benzyl-4, 5 -dimethylthiophene
Show more names
2,3-DIMETHYL-5-BENZYL THIOPHENEThiophene, 2,3-dimethyl-5-(phenylmethyl)-
Database identifiers
- CAS
250609-29-1- PubChem CID
- 10241963
- DTXSID
DTXSID50437180
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 295.4 · 295.4±9.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
Related reactions
22 records
Compound notes
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