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112111-43-0 molecular structure
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2-diphenylmethanesulfinylacetamide

ChemBase ID: 174671
Molecular Formular: C15H15NO2S
Molecular Mass: 273.3501
Monoisotopic Mass: 273.08234973
SMILES and InChIs

SMILES:
c1ccccc1C([S@](=O)CC(=O)N)c1ccccc1
Canonical SMILES:
NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
InChIKey:
YFGHCGITMMYXAQ-LJQANCHMSA-N

Cite this record

CBID:174671 http://www.chembase.cn/molecule-174671.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-diphenylmethanesulfinylacetamide
IUPAC Traditional name
modafinil
Synonyms
2-[(R)-(diphenylmethyl)sulfinyl]acetamide
(-)-Modafinil
(R)-(-)-Modafinil
Armodafinil
(R)-Modafinil
CAS Number
112111-43-0
PubChem SID
164230581
PubChem CID
9690109

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M482505 external link Add to cart
PubChem 9690109 external link
Data Source Data ID Price
TRC
M482505 external link Add to cart Please log in.
Data Source Data ID
PubChem 9690109 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.8397665  H Acceptors
H Donor LogD (pH = 5.5) 1.5326362 
LogD (pH = 7.4) 1.517359  Log P 1.5328344 
Molar Refractivity 77.3886 cm3 Polarizability 30.265642 Å3
Polar Surface Area 60.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
153-155°C expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M482505 external link
Used for treatment of excessive sleepiness, α1-adrenoceptor agonist.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Saletu, B., et al.: Int. J. Clin. Pharmacol. Res., 9, 183 (1989)
  • • Chemelli, R.M., et al.: Cell, 98, 437 (1989)
  • • Purnell, M., et al.: J. Sleep Res., 11, 219 (1989)
  • • Dinges, D., et al.: Curr. Med. Res. Opin., 22, 159 (2006)
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PATENTS

PATENTS

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INTERNET

INTERNET

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