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

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Isoxazoles

[473253-40-6]
3-(4-Methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[903131-45-3]
5-(Boc-aminomethyl)-3-bromoisoxazole
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[81282-12-4]
Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
[640291-92-5]
Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[85-47-2]
1-Naphthalenesulfonic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1778-09-2]
4'-(Methylthio)acetophenone
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

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