Modafinil Impurity 3

CAT: 1596-AR-M05004-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M05004-02Size:25 Units

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CAS Number

15733-08-1

Synonyms

Benzhydryl (methyl) sulfane

Molecular Formula

C14H14S

Molecular Weight

214.33

API Name

Modafinil

Chemical Information

[(Methylsulfanyl)(phenyl)methyl]benzene

CAS Number	15733-08-1
PubChem CID	597507
IUPAC Name	[methylsulfanyl(phenyl)methyl]benzene
Molecular Formula	C14H14S
Molecular Weight	214.33
XLogP	4
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	148

SMILES

CSC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H14S/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3

InChIKey

JQPDEBVXMCQJAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15733-08-1

CID: 597507

Formula: C14H14S

MW: 214.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.33
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	214.08162162
Monoisotopic Mass	214.08162162
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	148
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-M04997-01	Modafinil Impurity 1
AR-M02136-01	Modafinil EP Impurity A
AR-M04998-01	Modafinil Impurity 2
AR-M04999-01	Modafinil Impurity 4
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
281602-01	Modafinil discontinued
TRC-M482506-25MG	(S)-Modafinil