(S)-(+)-Modafinic acid
Basic information
- CAS
112111-44-1- Standard SMILES
O=C(O)C[S@](=O)C(c1ccccc1)c1ccccc1- InChIKey
QARQPIWTMBRJFX-IBGZPJMESA-N- Molecular formula
- C15H14O3S
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.06636548
Names & identifiers
- Preferred name
- (S)-(+)-Modafinic acid
- IUPAC
- 2-[(S)-benzhydrylsulfinyl]acetic acid
- English name
- Acetic acid, [(S)-(diphenylMethyl)sulfinyl]-
- Molecular formula
- C15H14O3S
- Molecular weight
- 274.33
Names & synonyms
(S)-(+)-Modafinic acid112111-44-1Modafinil acid, (+)-2-[(S)-benzhydrylsulfinyl]acetic acidAcetic acid, 2-((S)-(diphenylmethyl)sulfinyl)-C15H14O3S461846KJWS(+)-modafinil acidModafinil Impurity 11Acetic acid, [(S)-(diphenylmethyl)sulfinyl]-SCHEMBL4057742DTXSID70469625
Show more names
Modafinil Acid S-IsomerPinacolborane Impurity 13(S)-((addition))-Modafinic acid[(S)-(Diphenylmethyl)sulfinyl]acetic acid2-[(S)-(Diphenylmethyl)sulfinyl]acetic acidAcetic acid, 2-[(S)-(diphenylmethyl)sulfinyl]-Armodafinil Impurity 5/2-[(S)-(Diphenylmethyl) sulfinyl]acetic Acid
HY-78327AMFCD15071279AKOS030240577(S)-2-(benzhydrylsulfinyl)acetic acid[(S)-Diphenylmethanesulfinyl]acetic acidPD0121732-[(S)-diphenylmethanesulfinyl]acetic acidQ27258887
Database identifiers
- CAS
112111-44-1- PubChem CID
- 11623216
- DTXSID
DTXSID70469625- UNII
- 461846KJWS
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 185 · 185-188℃
- Boiling point
- 539.2 · 539.2±50.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.83 · 2.83±0.10(Predicted)
- color
- White to Off-White
- FDA UNII
- 461846 KJWS · 461846KJWS
Chemistry & industry
Applications
Uses(S)-(+)-Modafinic Acid is an intermediate in the synthesis of Modafinil (M482500) related compounds with neuroprotective properties.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…