Methyl 3-methoxy-5-[4-(methylsulfanyl)phenyl]benzoate
Basic information
- CAS
1820609-17-3- Standard SMILES
COC(=O)c1cc(OC)cc(-c2ccc(SC)cc2)c1- InChIKey
ZDOSMQFTFNNCGE-UHFFFAOYSA-N- Molecular formula
- C16H16O3S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.08201554
Names & identifiers
- Preferred name
- Methyl 3-methoxy-5-[4-(methylsulfanyl)phenyl]benzoate
- IUPAC
- methyl 3-methoxy-5-(4-methylsulfanylphenyl)benzoate
Names & synonyms
1820609-17-3methyl 3-methoxy-5-[4-(methylsulfanyl)phenyl]benzoateDTXSID201143281methyl 3-methoxy-5-(4-methylsulfanylphenyl)benzoatemethyl3-methoxy-5-[4-(methylsulfanyl)phenyl]benzoateMethyl 5-methoxy-4'-(methylsulfanyl)[1,1'-biphenyl]-3-carboxylate[1,1a(2)-Biphenyl]-3-carboxylic acid, 5-methoxy-4a(2)-(methylthio)-, methyl ester
Database identifiers
- CAS
1820609-17-3- PubChem CID
- 75488348
- DTXSID
DTXSID201143281
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…