2-(Methylthio)imidazole - CAS 7666-04-8

Catalog:	BB035665
Product Name:	2-(Methylthio)imidazole
CAS:	7666-04-8
Synonyms:	2-(methylthio)-1H-imidazole; 2-methylsulfanyl-1H-imidazole

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Computed Properties

IUPAC Name:	2-methylsulfanyl-1H-imidazole
Description:	2-(Methylthio)imidazole (CAS# 7666-04-8) is used as a reagent in the synthesis of 4-Methyl-5-phenyl-(1,2,4)-triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type I (11β-HSD1).
Molecular Weight:	114.17
Molecular Formula:	C4H6N2S
Canonical SMILES:	CSC1=NC=CN1
InChI:	InChI=1S/C4H6N2S/c1-7-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
InChI Key:	SVOCLWUDDWXHFW-UHFFFAOYSA-N
LogP:	1.13160

Publication Number	Title	Priority Date
CN-112691196-A	Anti-cancer composition containing auranofin and sulfhydryl compound and application thereof	20201230
CN-112425690-A	Method for inducing male transformation of fugu rubripes fries	20201221
CN-111939118-A	Pharmacosome for treating hyperthyroidism in response to GSH concentration and preparation method	20200827
CN-111991371-A	Pharmacosome hydrogel patch for treating hyperthyroidism in response to GSH concentration and preparation method thereof	20200827
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917

PMID	Publication Date	Title	Journal
21303950	20110401	Lack of action of exogenously administered T3 on the fetal rat brain despite expression of the monocarboxylate transporter 8	Endocrinology
20825298	20100901	Biochemical changes during goiter induction by methylmercaptoimidazol and inhibition by delta-iodolactone in rat	Thyroid : official journal of the American Thyroid Association
20107044	20100401	Posttranscriptional regulation of sodium-iodide symporter mRNA expression in the rat thyroid gland by acute iodide administration	American journal of physiology. Cell physiology
19479014	20090501	Competitive inhibition of thyroidal uptake of dietary iodide by perchlorate does not describe perturbations in rat serum total T4 and TSH	Environmental health perspectives
16280031	20051201	Dopamine D(2)-like receptor function is converted from excitatory to inhibitory by thyroxine in the developmental hippocampus	Journal of neuroendocrinology

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Related Functional Groups

Imidazoles

[152536-39-5]
1,4,5-Trimethyl-2-phenyl-1H-imidazole
[40953-34-2]
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[1855890-25-3]
Ethyl 1-isopropyl-4-methyl-1H-imidazole-2-carboxylate
[177760-04-2]
Ethyl 2-Amino-1-methyl-1H-imidazole-5-carboxylate
[50700-55-5]
1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid
[39070-14-9]
1-Methyl-2-nitro-1H-imidazole-5-methanol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.02516937
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.02516937
Rotatable Bond Count:	1
Topological Polar Surface Area:	54
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9