Basic information
- CAS
5835-72-3- Standard SMILES
CCCN(CCC)CCSC(=O)C(c1ccccc1)c1ccccc1- InChIKey
WEXRVFDKZKSKQS-UHFFFAOYSA-N- Molecular formula
- C22H29NOS
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.19698572
Names & identifiers
- Preferred name
- Diprofene
- IUPAC
- S-[2-(dipropylamino)ethyl] 2,2-diphenylethanethioate
- English name
- Diprofenum
- Molecular formula
- C22H29NOS
- Molecular weight
- 355.54
Names & synonyms
DiprofeneDiprofenumDiprophenDiprofenDiprofeno5835-72-3Diprofene [INN]UNII-O99X77ZQ8EO99X77ZQ8E2-Dipropylaminoethyl diphenylthioacetateS-2-Dipropylaminoethyl diphenylthioacetatDTXSID40207076
Show more names
2-Dipropylaminoethyl diphenylthioacetate.Diphenylthioacetic acid S-(2-dipropylaminoethyl) esterO-[2-(dipropylamino)ethyl] 2,2-di(phenyl)ethanethioate2,2-di(phenyl)ethanethioic acid O-[2-(dipropylamino)ethyl] esterBenzeneethanethioic acid, α-phenyl-, S-[2-(dipropylamino)ethyl] ester
Diphenylthioessigsaeure-S-(2-dipropylaminoehtyl)esterRefChem:134832DTXCID40129567S-[2-(dipropylamino)ethyl] 2,2-diphenylethanethioateSCHEMBL2110770CHEMBL2104288S-[2-(Dipropylamino)ethyl] diphenylethanethioateQ27285513
Database identifiers
- CAS
5835-72-3- PubChem CID
- 17032
- DTXSID
DTXSID40207076- ChEMBL
CHEMBL2104288- UNII
- O99X77ZQ8E
- Nikkaji
- J8.292I
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 467.362 · 467.362±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.057 · 1.057±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.621 · 8.621±0.50(predicted)
- FDA UNII
- 99 X77ZQ8E · O99X77ZQ8E
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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