(5-methylthiophen-2-yl)methyl Benzoate
Basic information
- CAS
157890-50-1- Standard SMILES
Cc1ccc(COC(=O)c2ccccc2)s1- InChIKey
OYCPSLZIFRQTQO-UHFFFAOYSA-N- Molecular formula
- C13H12O2S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.05580079
Names & identifiers
- Preferred name
- (5-methylthiophen-2-yl)methyl Benzoate
- IUPAC
- (5-methylthiophen-2-yl)methyl benzoate
- English name
- (5-Methylthiophen-2-yl)methyl Benzoate
- Molecular formula
- C13H12O2S
- Molecular weight
- 232.3
Names & synonyms
(5-methylthiophen-2-yl)methyl Benzoate157890-50-1DTXSID00394436RefChem:209518DTXCID50345296(5-methyl-2-thienyl)methyl benzoateAKOS0243259015-METHYL-2-THIENYLMETHYL BENZOATE2-Thiophenemethanol, 5-methyl-, 2-benzoate
Database identifiers
- CAS
157890-50-1- PubChem CID
- 3626835
- DTXSID
DTXSID00394436- Nikkaji
- J771.596J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 340.2 · 340.2±27.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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