Basic information
- CAS
98051-77-5- Standard SMILES
O=C(NCc1ccco1)c1ccccc1SSc1ccccc1C(=O)NCc1ccco1- InChIKey
JLUYBYQUBLVFKP-UHFFFAOYSA-N- Molecular formula
- C24H20N2O4S2
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.08644947
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(2-methylfuran)benzamide)
- IUPAC
- N-(furan-2-ylmethyl)-2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]disulfanyl]benzamide
Names & synonyms
2,2'-Dithiobis(N-(2-methylfuran)benzamide)98051-77-52,2'-Dithiobis[N-(2-methylfuran)benzamide]CHEMBL48492DTXSID202433912,2'-Disulfanediylbis{N-[(furan-2-yl)methyl]benzamide}N-(2-furylmethyl)-2-[[2-(2-furylmethylcarbamoyl)phenyl]disulfanyl]benzamide
Database identifiers
- CAS
98051-77-5- PubChem CID
- 457464
- DTXSID
DTXSID20243391- ChEMBL
CHEMBL48492
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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