CAS 60-56-0|1-methyl-1H-imidazole-2-thiol|1 methyl 2 mercaptoimidazole|2-MERCAPTO-1-METHYLIMIDAZOLE|1-methyl-1H-imidazole-2-thiol|2-mercapto-1-methylimidazole|Basolan|Thiamazole|1,3-Dihydro-1-methyl...

Molecular Formula

C₄H₆N₂S

Molecular Mass

114.16884

Exact Mass

114.0251692

InChI

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

InChIKey

PMRYVIKBURPHAH-UHFFFAOYSA-N

Canonic Smiles

Cn1ccnc1S

Isomeric Smiles

Cn1ccnc1S

Provided by Enamine

CLogP

0.82

H Donor

Polar Surface Area

17.82

Rotatable Bonds

JChem

Polar Surface Area

17.82

H Donor

H Acceptors

Rotatable Bonds

Lipinski's Rule of Five

true

Log P

0.86

LogD (pH = 5.5)

0.69

LogD (pH = 7.4)

0.73

Acid pKa

7.87

Molar Refractivity

31.39

Polarizability

12.22

LOG S

-0.78

Academic Data

PubChem

1349907

IUPAC name

1-methyl-1H-imidazole-2-thiol

Synonyms

2-MERCAPTO-1-METHYLIMIDAZOLE1-methyl-1H-imidazole-2-thiolBasolan1,3-Dihydro-1-methyl-2H-imidazole-2-thioneThiamazoleMetazoloMercazole2-Mercapto-1-methylimidazoleTapazoleMercazolyl2-Mercapto-1-methylimidazole1-Methylimidazole-2-thiolMethimazole2-巯基-1-甲基咪唑Methimazole

IUPAC Traditional name

1 methyl 2 mercaptoimidazole 2-mercapto-1-methylimidazole

API Name

Methimazole

PubChem SID

162095593

MDL Number

MFCD00179321

Beilstein Number

108646

RTECS

NI8615000

MSDS Link

Download link

Risk Statements

R:22

43-63

European Hazard Symbols

Harmful (Xn)

Harmful (X)

Safety Statements

S:36/37/39

24-37

Storage Condition

Refrigerator

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

GHS Precautionary statements

P261-P280-P302+P352-P321-P405-P501A

GHS Hazard statements

H361-H317

TSCA Listed

是

Physical Property

Melting Point

146°C

138-140°C

144-147°C

Apperance

White Solid

Solubility

Chloroform

Freely soluble in water. Soluble in alcohol, chloroform. Sparingly soluble in ether, benzene.

280°C dec.

Product Information

Certificate of Analysis

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Purity

98%

No Data Available

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No Data Available

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MP Biomedicals

05214252

MP Biomedicals Rare Chemical collection

TRC

M260300

Methimazole is a thiourea antithyroid agent that prevents iodine organification, thus inhibiting the synthesis of thyroxine. Antihyperthyroid.

From Data Sources

• Cooper, D.S., et al.: N. Engl. J. Med., 311, 1353 (1973)

• Aboul-Enein, H.Y., et al.: Anal. Profiles Drug Subs., 8, 351 (1973)

• Atterwill, C.K., et al.: Food Chem. Toxicol., 29, 355 (1973)

• Sitar, D.S., et al.: J. Pharmacol. Exp. Ther., 184, 432 (1973)

Academic Data

PubChem

1349907

IUPAC name

1-methyl-1H-imidazole-2-thiol

Synonyms

IUPAC Traditional name

1 methyl 2 mercaptoimidazole 2-mercapto-1-methylimidazole

API Name

Methimazole

PubChem SID

MDL Number

Beilstein Number

MP Biomedicals Rare Chemical collection

TRC

M260300

Methimazole is a thiourea antithyroid agent that prevents iodine organification, thus inhibiting the synthesis of thyroxine. Antihyperthyroid.

From Data Sources

• Cooper, D.S., et al.: N. Engl. J. Med., 311, 1353 (1973)

• Aboul-Enein, H.Y., et al.: Anal. Profiles Drug Subs., 8, 351 (1973)

• Atterwill, C.K., et al.: Food Chem. Toxicol., 29, 355 (1973)

• Sitar, D.S., et al.: J. Pharmacol. Exp. Ther., 184, 432 (1973)

Safety Information

Physical Property

Melting Point

146°C

138-140°C

144-147°C

Apperance

White Solid

Solubility

Chloroform

Freely soluble in water. Soluble in alcohol, chloroform. Sparingly soluble in ether, benzene.

280°C dec.

Product Information

Certificate of Analysis

Download link

Purity

98%

Molecule

ID:110251