Modafinil-d5

CAT: 0926-IVB71238-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-IVB71238-01Size:5 mg

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CAS Number

1133712-38-5

MDL Number

MFCD09841054

Smiles

C1=CC=C (C=C1) COC2=C (C=CC (=C2) C (F) (F) F) CN

Molecular Formula

C15H15NO2S

Molecular Weight

278.38 g/mol

Controlled

Chemical Information

Modafinil-d5

CAS Number	1133712-38-5
PubChem CID	25230605
IUPAC Name	2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]sulfinylacetamide
Molecular Formula	C15H15NO2S
Molecular Weight	278.38
XLogP	1.7
Topological Polar Surface Area	79.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	302

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=CC=C2)S(=O)CC(=O)N)[2H])[2H]

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)/i1D,3D,4D,7D,8D

InChIKey

YFGHCGITMMYXAQ-DYVTXVBDSA-N

Chemical Structure

2D Structure

CAS: 1133712-38-5

CID: 25230605

Formula: C15H15NO2S

MW: 278.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.38
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	278.11373362
Monoisotopic Mass	278.11373362
Topological Polar Surface Area	79.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	302
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM02798-01	Modafinil
FM26031-01	(R) -Modafinil
FM26034-01	Modafinil carboxylate
FM26032-01	(S) -Modafinil
FM26033-01	(R) -Modafinil carboxylate
FM26037-01	Modafinil carboxylate methyl ester
YCA73805-01	Phenobarbital-d5 (ethyl-d5)
NXB26534-01	Norfluoxetine-d5 hydrochloride (phenyl-d5)
SYB64864-01	(R) -Norfluoxetine-d5 (phenyl-d5)
LBC58892-01	(±) -Mdea-d5 hydrochloride (ethyl-d5)

Catalog	Name
CS-O-10102	Modafinil-d5
AR-M05005-01	Modafinil EP Impurity A-d5 (Modafinil Acid-d5)
AR-M02144-01	(S) - (+) -Modafinil-d5
AR-M02145-01	(R) - (-) -Modafinil-d5
AR-M05003-01	(R) -Modafinil-d5
CS-O-14651	(R) -Modafinil D5
TRC-M482522-10MG	Modafinil-d5 Sulfone
CS-T-58887	Modafinil D5 Sulfone
AR-M02141-01	Modafinil-d5 Acid
AR-M05002-01	(S) -Modafinil EP Impurity A-d5 ((S) -Modafinil Acid-d5)