Methyl 4-[4-(4-methoxycarbonylphenyl)sulfanyl-3-oxobutyl]sulfanylbenzoate
Basic information
- CAS
67426-07-7- Standard SMILES
COC(=O)c1ccc(SCCC(=O)CSc2ccc(C(=O)OC)cc2)cc1- InChIKey
SMVIGSXXAFZAEW-UHFFFAOYSA-N- Molecular formula
- C20H20O5S2
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.07521608
Names & identifiers
- Preferred name
- Methyl 4-[4-(4-methoxycarbonylphenyl)sulfanyl-3-oxobutyl]sulfanylbenzoate
- IUPAC
- methyl 4-[4-(4-methoxycarbonylphenyl)sulfanyl-3-oxobutyl]sulfanylbenzoate
Names & synonyms
67426-07-7NSC319978DTXSID90317730NSC-319978Dimethyl 4,4'-[(2-oxobutane-1,4-diyl)disulfanediyl]dibenzoateDimethyl 4,4'-[(2-oxobutane-1,4-diyl)bis(sulfanediyl)]dibenzoate
Database identifiers
- CAS
67426-07-7- PubChem CID
- 330733
- DTXSID
DTXSID90317730
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…