Modafinil Impurity 1

CAT: 1596-AR-M04997-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04997-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

7401-37-8

Molecular Formula

C9H10OS

Molecular Weight

166.24

API Name

Modafinil

Chemical Information

2-(Benzylsulfanyl)acetaldehyde

CAS Number	7401-37-8
PubChem CID	244080
IUPAC Name	2-benzylsulfanylacetaldehyde
Molecular Formula	C9H10OS
Molecular Weight	166.24
XLogP	1.9
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	108

SMILES

C1=CC=C(C=C1)CSCC=O

InChI

InChI=1S/C9H10OS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2

InChIKey

DVXJHLBTPJVZEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7401-37-8

CID: 244080

Formula: C9H10OS

MW: 166.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.24
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	166.04523611
Monoisotopic Mass	166.04523611
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	108
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M02151-01	Modafinil Impurity A
AR-M02136-01	Modafinil EP Impurity A
AR-M04998-01	Modafinil Impurity 2
AR-M04999-01	Modafinil Impurity 4
AR-M05004-01	Modafinil Impurity 3
AR-M05005-01	Modafinil EP Impurity A-d5 (Modafinil Acid-d5)
AR-M02140-01	Modafinil EP Impurity B
AR-M02150-01	Modafinil EP Impurity C
AR-M05002-01	(S) -Modafinil EP Impurity A-d5 ((S) -Modafinil Acid-d5)
AR-M05000-01	(S) -Modafinil EP Impurity C

Catalog	Name
RM-M150404-01	Modafinil Impurity 4
RM-M150401-01	Modafinil EP Impurity A
RM-M150403-01	Modafinil EP Impurity C
RM-M150402-01	Modafinil EP Impurity B
HY-143990S	Modafinil EP impurity B-d5
RM-E022012-01	Ebastine EP Impurity H; Dimenhydrinate EP Impurity K (Modafinil USP Related Compound D, Bis (diphenylmethy) Ether) (controlled substance)
FM02798-01	Modafinil
M4190-05	Modafinil Carboxylate (Modafinil Acid) discontinued
TRC-M482520-100MG	Modafinil Sulfone
TRC-M482505-25MG	(R)-Modafinil