Ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate - CAS 40279-32-1

Catalog:	BB053282
Product Name:	Ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate
CAS:	40279-32-1
Synonyms:	Ethyl 2-(methylthio)thiazole-4-carboxylate; ethyl 2-(methylsulfanyl)-1,3-thiazole-4-carboxylate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 2-methylsulfanyl-1,3-thiazole-4-carboxylate
Molecular Weight:	203.3
Molecular Formula:	C7H9NO2S2
Canonical SMILES:	CCOC(=O)C1=CSC(=N1)SC
InChI:	InChI=1S/C7H9NO2S2/c1-3-10-6(9)5-4-12-7(8-5)11-2/h4H,3H2,1-2H3
InChI Key:	CTQNPBGNKPCYSR-UHFFFAOYSA-N
Boiling Point:	310.8±34.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Isoxazoles

[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate
[81282-12-4]
Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
[625120-13-0]
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[1778-09-2]
4'-(Methylthio)acetophenone

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.00747088
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.00747088
Rotatable Bond Count:	4
Topological Polar Surface Area:	92.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4