4-Methylthiazole - CAS 693-95-8

Catalog:	BB033805
Product Name:	4-Methylthiazole
CAS:	693-95-8
Synonyms:	4-methyl-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-1,3-thiazole
Description:	4-Methylthiazole (CAS# 693-95-8) is a useful research chemical.
Molecular Weight:	99.15
Molecular Formula:	C4H5NS
Canonical SMILES:	CC1=CSC=N1
InChI:	InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
InChI Key:	QMHIMXFNBOYPND-UHFFFAOYSA-N
Boiling Point:	133-134 °C
Purity:	98 %
Density:	1.09 g/cm³
Appearance:	Clear colourless to slightly yellow liquid
MDL:	MFCD00005340
LogP:	1.45150
Vapor Pressure:	8.6 [mmHg]

Publication Number	Title	Priority Date
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CN-112592331-A	Oseltamivir PROTAC compound, preparation method thereof and application thereof in anti-influenza virus drugs	20201217

PMID	Publication Date	Title	Journal
22981329	20121015	Synthesis and pharmacological evaluation of a novel series of 3-aryl-2-(2-substituted-4-methylthiazole-5-yl)thiazolidin-4-one as possible anti-inflammatory and antimicrobial agents	Bioorganic & medicinal chemistry letters
22779770	20120809	Design and synthesis of neuroprotective methylthiazoles and modification as NO-chimeras for neurodegenerative therapy	Journal of medicinal chemistry
15252657	20040421	Anionic Fischer-type carbene complexes as bidentate (N,O) ligands	Dalton transactions (Cambridge, England : 2003)
12358442	20021009	Method for determining nitrogenous heterocycle compounds in wine	Journal of agricultural and food chemistry
11969430	20020430	Enzymatic assembly of epothilones: the EpoC subunit and reconstitution of the EpoA-ACP/B/C polyketide and nonribosomal peptide interfaces	Biochemistry

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GHS Hazard Statement:	H226 (13.53%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	99.01427034
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	99.01427034
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1