Basic information
- CAS
632294-04-3- Standard SMILES
Cc1cc(C)c(C(=O)CSc2nnc(-c3ccco3)o2)c(C)c1- InChIKey
UZOIPHWBWYOTID-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3S
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- Ethanone, 2-(5-furan-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)-
- IUPAC
- 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
- English name
- 2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-mesitylethanone
- Molecular formula
- C17H16N2O3S
- Molecular weight
- 328.38554
Names & synonyms
2-(5-(2-furyl)(1,3,4-oxadiazol-2-ylthio))-1-(2,4,6-trimethylphenyl)ethan-1-one2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanoneEthanone, 2-(5-furan-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)-2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(2,4,6-trimethylphenyl)ethanoneUZOIPHWBWYOTID-UHFFFAOYSA-NSTK713005AKOS001039200ST058724AO-080/42160008Z186505042-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-mesitylethanone2-{[5-(FURAN-2-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-1-(2,4,6-TRIMETHYLPHENYL)ETHAN-1-ONE
Database identifiers
- CAS
632294-04-3
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…