Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate - CAS 18212-20-9

Catalog:	BB013872
Product Name:	Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CAS:	18212-20-9
Synonyms:	ethyl 4-methylthiadiazole-5-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 4-methylthiadiazole-5-carboxylate
Description:	Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS# 18212-20-9) is a useful research chemical.
Molecular Weight:	172.20
Molecular Formula:	C6H8N2O2S
Canonical SMILES:	CCOC(=O)C1=C(N=NS1)C
InChI:	InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-4(2)7-8-11-5/h3H2,1-2H3
InChI Key:	AHPXTXGCMLOXGA-UHFFFAOYSA-N
Boiling Point:	113 °C (10 torr)
Density:	1.265 g/cm³
MDL:	MFCD00052549
LogP:	1.02320

Publication Number	Title	Priority Date
WO-2019071911-A1	5 A5 B6 C tricyclic spiro lactone derivative, preparation method and use thereof	20171013
US-2021289783-A1	5A5B6C Tricyclic spirolactone derivative, preparation method therefor and use thereof	20171013
WO-2018209616-A1	Î±-AMINO ACRYLATE MICROBICIDE, AND PREPARATION METHOD THEREFOR AND USES THEREOF	20170516
US-2020236935-A1	a-Amino Acrylate microbicide, and preparation method therefor and uses thereof	20170516
WO-2017129113-A1	Bromohexahydroindanone compounds, preparation method for same, and uses thereof	20160129

PMID	Publication Date	Title	Journal
22054095	20111222	Early events in the photochemistry of 1,2,3-thiadiazole studied by ultrafast time-resolved UV-vis and IR spectroscopies	The journal of physical chemistry. A

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

Oxadiazole/Thiadiazole

[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03064868
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.03064868
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4