Ethyl 1,2,4-Thiadiazole-5-carboxylate - CAS 859536-28-0

Catalog:	BB037783
Product Name:	Ethyl 1,2,4-Thiadiazole-5-carboxylate
CAS:	859536-28-0
Synonyms:	1,2,4-thiadiazole-5-carboxylic acid ethyl ester; ethyl 1,2,4-thiadiazole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1,2,4-thiadiazole-5-carboxylate
Description:	Ethyl 1,2,4-Thiadiazole-5-carboxylate (CAS# 859536-28-0) is a useful research chemical.
Molecular Weight:	158.18
Molecular Formula:	C5H6N2O2S
Canonical SMILES:	CCOC(=O)C1=NC=NS1
InChI:	InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-6-3-7-10-4/h3H,2H2,1H3
InChI Key:	ROVRYWXBZOMWQE-UHFFFAOYSA-N
LogP:	0.71480

Publication Number	Title	Priority Date
CN-113302175-A	Bicyclic compounds	20181109
KR-20210108367-A	Bicyclic Compounds	20181109
US-2017145003-A1	Heterocyclic inhibitors of the sodium channel	20140227
US-2020017488-A1	Heterocyclic inhibitors of the sodium channel	20140227
WO-2015130957-A1	Heterocyclic inhibitors of the sodium channel	20140227

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Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.01499861
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.01499861
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3