Methimazole Dimer Impurity

CAT: 1596-AR-T06284-02Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T06284-02Size:50 Units

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CAS Number

61747-29-3

Synonyms

1,2-Bis (1-methyl-1H-imidazol-2-yl) disulfane

Molecular Formula

C8H10N4S2

Molecular Weight

226.3

API Name

Thiamazole

Chemical Information

1-methyl-2-((1-methyl-1H-imidazol-2-yl)disulfanyl)-1H-imidazole

CAS Number	61747-29-3
PubChem CID	12297468
IUPAC Name	1-methyl-2-[(1-methylimidazol-2-yl)disulfanyl]imidazole
Molecular Formula	C8H10N4S2
Molecular Weight	226.3
XLogP	0.9
Topological Polar Surface Area	86.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	172

SMILES

CN1C=CN=C1SSC2=NC=CN2C

InChI

InChI=1S/C8H10N4S2/c1-11-5-3-9-7(11)13-14-8-10-4-6-12(8)2/h3-6H,1-2H3

InChIKey

VWGKCNYHKYTHBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61747-29-3

CID: 12297468

Formula: C8H10N4S2

MW: 226.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.3
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	226.03468868
Monoisotopic Mass	226.03468868
Topological Polar Surface Area	86.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172
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-M01550-01	Methimazole (Thiamazole) Impurity B
AR-C01152-01	Canagliflozin Dimer Impurity
AR-I01262-01	Iloperidone Dimer Impurity
AR-G01638-01	Guanfacine Dimer Impurity
AR-F00993-01	Fluticasone Dimer Impurity
AR-F01239-01	Felbamate Dimer Impurity
AR-E11059-01	Etelcalcetide Dimer Impurity
AR-E01290-01	Emtricitabine Dimer Impurity
AR-E08894-01	Edoxaban Dimer Impurity
AR-D01704-01	Diclofenac Dimer Impurity

Catalog	Name
CS-T-19910	Methimazole EP Impurity A
RM-M050913-01	Methimazole Impurity 13
RM-M050907-01	Methimazole Impurity 7
RM-M050904-01	Methimazole Impurity 4
RM-M050912-01	Methimazole Impurity 12
RM-M050908-01	Methimazole Impurity 8
RM-M050905-01	Methimazole Impurity 5
CS-O-13692	Methimazole EP Impurity B
RM-M050909-01	Methimazole Nitroso Impurity 9
RM-M050911-01	Methimazole Nitroso Impurity 11