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(S)-(+)-Modafinic Acid

CAT: 0572-TRC-M482475-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M482475-25MGSize:25 mg
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CAS Number
112111-44-1
Synonyms
Acetic acid, 2-[(S)-(diphenylmethyl)sulfinyl]-; Acetic acid, [(S)-(diphenylmethyl)sulfinyl]- (9CI); 2-[(S)-(Diphenylmethyl)sulfinyl]acetic acid; (S)-(+)-Modafinil acid; [(S)-(Diphenylmethyl)sulfinyl]acetic acid
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
OC(=O)C[S@](=O)C(c1ccccc1)c2ccccc2
Molecular Formula
C15 H14 O3 S
Molecular Weight
274.33
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-/m0/s1
Additionnal Information
IUPAC name: 2-[(S)-benzhydrylsulfinyl]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(S)-(+)-Modafinic acid
CAS Number112111-44-1
PubChem CID11623216
IUPAC Name2-[(S)-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-/m0/s1
InChIKey
QARQPIWTMBRJFX-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (S)-(+)-Modafinic acid
CAS: 112111-44-1
CID: 11623216
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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