Basic information
- CAS
63547-25-1- Standard SMILES
COC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1- InChIKey
JFMZFATUMFWKEA-FQEVSTJZSA-N- Molecular formula
- C16H16O3S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.08201554
Names & identifiers
- Preferred name
- Modafinil ester
- IUPAC
- methyl 2-[(S)-benzhydrylsulfinyl]acetate
- English name
- (S)-Modafinil Carboxylate Methyl Ester
- Molecular formula
- C16H16O3S
- Molecular weight
- 288.36
Names & synonyms
Modafinil Ester5BAP7W5TXDMethyl (benzhydrylsulfinyl)acetateModafinil impurity C [EP]Methyl ((RS)-(diphenylmethyl)sulfinyl)acetate2-((Diphenylmethyl)sulfinyl)acetic acid methyl esterAcetic acid, ((diphenylmethyl)sulfinyl)-, methyl esterAcetic acid, 2-((diphenylmethyl)sulfinyl)-, methyl esterMODAFINIL IMPURITY C [EP IMPURITY]MODAFINIL IMPURITY C (EP IMPURITY)2-[(Diphenylmethyl)sulfinyl]acetic Acid Methyl EsterModafinil impurity C
Show more names
Modafinil Acid Methyl Ester S-IsomerMethyl (S)-(Benzhydrylsulfinyl)acetate*Buprenorphine Impurity 6 (Buprenorphine EP Impurity F)2-[(S)-(DiphenylMethyl)sulfinyl]-acetic Acid Methyl EsterAcetic acid, 2-[(S)-(diphenylmethyl)sulfinyl]-, methyl ester
RefChem:201801680-806-263547-25-1MODAFINIL CARBOXYLATE METHYL ESTER865811-65-0(S)-Modafinil Carboxylate Methyl EsterMethyl [(S)-diphenylmethanesulfinyl]acetatemethyl 2-[(S)-benzhydrylsulfinyl]acetate
Database identifiers
- CAS
63547-25-1、865811-65-0- PubChem CID
- 29984875
- DTXSID
DTXSID60652660- UNII
- 5BAP7W5TXD
- EC Number
- 680-806-2
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 101 · 101-104°C
- Boiling point
- 483.8 · 483.8±45.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- soluble in Chloroform, Methanol
- form
- Solid
- color
- White to Off-White
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Chemistry & industry
Applications
UsesModafinil derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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