2-[(Morpholin-4-yl)disulfanyl]-1,3-diphenylpropane-1,3-dione
Basic information
- CAS
72087-94-6- Standard SMILES
O=C(c1ccccc1)C(SSN1CCOCC1)C(=O)c1ccccc1- InChIKey
SEIXQYCSRZAUBQ-UHFFFAOYSA-N- Molecular formula
- C19H19NO3S2
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.08063582
Names & identifiers
- Preferred name
- 2-[(Morpholin-4-yl)disulfanyl]-1,3-diphenylpropane-1,3-dione
- IUPAC
- 2-(morpholin-4-yldisulfanyl)-1,3-diphenylpropane-1,3-dione
Names & synonyms
72087-94-6NSC327728DTXSID303182412-[(Morpholin-4-yl)disulfanyl]-1,3-diphenylpropane-1,3-dioneNSC-327728DS-0083811,3-PROPANEDIONE,2-(4-MORPHOLINYLDITHIO)-1,3-DIPHENYL-
Database identifiers
- CAS
72087-94-6- PubChem CID
- 332072
- DTXSID
DTXSID30318241
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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