2-((5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-phenylethanone
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Basic information
- CAS
348593-64-6- Standard SMILES
O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1- InChIKey
BJYSGPMOFGVXIQ-UHFFFAOYSA-N- Molecular formula
- C16H10Cl2N2O2S
- Average molar mass
- 365.2 g/mol
- Monoisotopic mass
- 363.9840041
Names & identifiers
- Preferred name
- 2-((5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-phenylethanone
- IUPAC
- 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
- English name
- 2-{[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-phenylethanone
- Molecular formula
- C16H10Cl2N2O2S
- Molecular weight
- 365.23
Names & synonyms
348593-64-62-[[5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-phenylethanone2-((5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl)thio)-1-phenylethanoneRefChem:2494402-{[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-phenylethanone2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone2-{[5-(2,4-DICHLOROPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-1-PHENYLETHAN-1-ONEBJYSGPMOFGVXIQ-UHFFFAOYSA-NDTXSID501153293STK219853AKOS001731711ST033463
Show more names
Ethanone, 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-phenyl-
AG-205/11677219SR-01000535977SR-01000535977-12-([5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl)-1-phenylethanone #2-[5-(2,4-Dichloro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-phenyl-ethanone2-[5-(2,4-dichlorophenyl)(1,3,4-oxadiazol-2-ylthio)]-1-phenylethan-1-one
Database identifiers
- CAS
348593-64-6- PubChem CID
- 569797
- DTXSID
DTXSID501153293
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Boiling point
- 529.4 · 529.4±60.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -7.13 · -7.13±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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