Methimazole

CAT: 1489-M7090-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-M7090-01Size:5 g

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

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CAS Number

60-56-0

Purity

> 98%, BR

Chemical Information

Methimazole

Methimazole can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	60-56-0
PubChem CID	1349907
IUPAC Name	3-methyl-1H-imidazole-2-thione
Molecular Formula	C4H6N2S
Molecular Weight	114.17
XLogP	-0.3
Topological Polar Surface Area	47.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	119

SMILES

CN1C=CNC1=S

InChI

InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)

InChIKey

PMRYVIKBURPHAH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60-56-0

CID: 1349907

Formula: C4H6N2S

MW: 114.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.17
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	114.02516937
Monoisotopic Mass	114.02516937
Topological Polar Surface Area	47.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	119
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
A8472-5.1	Methimazole
HY-B0208S	Methimazole-d3