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

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Oxadiazole/Thiadiazole

[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[956263-73-3]
Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[1018125-29-5]
Ethyl 3-cyclopropyl-1,2,4-oxadiazole-5-carboxylate
[1018143-62-8]
Ethyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
[938007-34-2]
N-(2-Aminoethyl)-3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxamide
[938007-35-3]
N-(2-Aminoethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide

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