Thiophen-2-yl benzoate
Basic information
- CAS
16693-98-4- Standard SMILES
O=C(Oc1cccs1)c1ccccc1- InChIKey
DLDNGXJAIMHIKC-UHFFFAOYSA-N- Molecular formula
- C11H8O2S
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.02450067
Names & identifiers
- Preferred name
- Thiophen-2-yl benzoate
- IUPAC
- thiophen-2-yl benzoate
- English name
- Benzoic acid 2-thienyl ester
- Molecular formula
- C11H8O2S
- Molecular weight
- 204.24
Names & synonyms
16693-98-4thiophen-2-yl benzoateBenzoic acid 2-thienyl esterThiophene-2-ol, benzoatethiophenyl benzoate2-Thienyl benzoate #SCHEMBL732742SCHEMBL7802262SCHEMBL7804206DLDNGXJAIMHIKC-UHFFFAOYSA-Benzoic acid thiophen-2-yl esterInChI=1/C11H8O2S/c12-11(9-5-2-1-3-6-9)13-10-7-4-8-14-10/h1-8H
Show more names
Thiophen-2-ol benzoateThiophene-2-ol, 2-benzoate
Database identifiers
- CAS
16693-98-4- PubChem CID
- 569593
- Nikkaji
- J101.638E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 43 · 43-44 °C
- Boiling point
- 323.2 · 323.2±15.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
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Related reactions
2 records
Compound notes
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