Basic information
- CAS
85455-66-9- Standard SMILES
O=C(OCc1cccs1)c1ccccc1- InChIKey
QFKZQXHPVSHDMJ-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015073
Names & identifiers
- Preferred name
- 2-Thienylmethyl benzoate
- IUPAC
- thiophen-2-ylmethyl benzoate
- English name
- 2-thienylmethyl benzoate
- Molecular formula
- C12H9O2S-
- Molecular weight
- 217.26366
Names & synonyms
2-Thienylmethyl benzoate85455-66-9thiophen-2-ylmethyl benzoateEINECS 287-300-72-thenyl benzoate(thiophen-2-yl)methyl benzoateT6UJD565HM2-Thiophenemethanol, benzoateSCHEMBL72177762-Thiophenemethanol, 2-benzoateDTXSID70234678QFKZQXHPVSHDMJ-UHFFFAOYSA-N
Show more names
Thiophen-2-ylmethyl2-Thiophenemethanol benzoatethiophen-2-yl-methyl benzoate
NS00038951
Database identifiers
- CAS
85455-66-9- PubChem CID
- 3020751
- DTXSID
DTXSID70234678- UNII
- T6UJD565HM
- EC Number
- 287-300-7
- Nikkaji
- J333.202K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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