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(R) -Modafinil carboxylate

CAT: 0926-FM26033-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FM26033-01Size:10 mg
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CAS Number
112111-45-2
Synonyms
2-[ (R) - (Diphenyl-methyl) sulfinyl]-acetic acid; (R) - (-) -Modafinil acid
MDL Number
MFCD11977853
Smiles
C1=CC=C (C=C1) C (C2=CC=CC=C2) [S@] (=O) CC (=O) O
Molecular Formula
C15H14O3S
Molecular Weight
274.34 g/mol
Controlled
Yes

Chemical Information

Modafinil acid, (-)-
CAS Number112111-45-2
PubChem CID11300303
IUPAC Name2-[(R)-benzhydrylsulfinyl]acetic acid
Molecular FormulaC15H14O3S
Molecular Weight274.3
XLogP2.4
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity299
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)[S@](=O)CC(=O)O
InChI
InChI=1S/C15H14O3S/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,(H,16,17)/t19-/m1/s1
InChIKey
QARQPIWTMBRJFX-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Modafinil acid, (-)-
CAS: 112111-45-2
CID: 11300303
Formula: C15H14O3S
MW: 274.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.3
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass274.06636548
Monoisotopic Mass274.06636548
Topological Polar Surface Area73.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-M482510-10MGModafinil Carboxylate
M4190-05Modafinil Carboxylate (Modafinil Acid) discontinued
282914-01Modafinil carboxylate discontinued
TRC-M482513-10MGModafinil-d10 Carboxylate
TRC-M482460-25MG(R)-Modafinil Carboxylate
CS-T-83426(S) -Modafinil-d10 Carboxylate
282918-01Modafinil carboxylate sulfone discontinued
TRC-M482515-50MGModafinil Carboxylate Methyl Ester
017711(R) -Modafinil Carboxylate discontinued
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