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Ethyl 5-Methyl-1,3,4-thiadiazole-2-carboxylate

Ethyl 5-Methyl-1,3,4-thiadiazole-2-carboxylate - CAS 869108-50-9

Catalog:	BB038120
Product Name:	Ethyl 5-Methyl-1,3,4-thiadiazole-2-carboxylate
CAS:	869108-50-9
Synonyms:	5-methyl-1,3,4-thiadiazole-2-carboxylic acid ethyl ester; ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate
Description:	Ethyl 5-Methyl-1,3,4-thiadiazole-2-carboxylate (CAS# 869108-50-9) is a useful research chemical.
Molecular Weight:	172.20
Molecular Formula:	C6H8N2O2S
Canonical SMILES:	CCOC(=O)C1=NN=C(S1)C
InChI:	InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-8-7-4(2)11-5/h3H2,1-2H3
InChI Key:	VMVKZLLIEGQHEE-UHFFFAOYSA-N
LogP:	1.02320

Publication Number	Title	Priority Date
WO-2020198026-A1	Compounds and uses thereof	20190322
BR-112020019619-A2	ESTERS OF HETEROCYCLIC COMPOUNDS, USES OF ESTERS OF HETEROCYCLIC COMPOUNDS AND AGRONOMIC COMPOSITIONS, AGRONOMIC COMPOSITIONS, AND, METHOD FOR THE CONTROL OF NEMATODES.	20180330
US-2021127678-A1	Esters of heterocyclic compounds having a nematocidal activity, their agronomic compositions and their use	20180330
WO-2019183587-A1	Compounds and uses thereof	20180323
AU-2019238326-A1	Compounds and uses thereof	20180323

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:	1.3