Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester
Basic information
- CAS
89407-51-2- Standard SMILES
CCCCCCOc1ccc(C(=O)Oc2ccc(SC)cc2)cc1- InChIKey
TZHQWSVHGXLQRC-UHFFFAOYSA-N- Molecular formula
- C20H24O3S
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.1446158
Names & identifiers
- Preferred name
- Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester
- IUPAC
- (4-methylsulfanylphenyl) 4-hexoxybenzoate
Names & synonyms
89407-51-2Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl esterDTXSID80394015AKOS0015882494-(methylthio)phenyl 4-(hexyloxy)benzoate4-(METHYLSULFANYL)PHENYL 4-(HEXYLOXY)BENZOATE
Database identifiers
- CAS
89407-51-2- PubChem CID
- 3597648
- DTXSID
DTXSID80394015
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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