2,4-Dichlorothiazole-5-carboxylic Acid - CAS 62019-56-1

Catalog:	BB031382
Product Name:	2,4-Dichlorothiazole-5-carboxylic Acid
CAS:	62019-56-1
Synonyms:	2,4-dichloro-5-thiazolecarboxylic acid; 2,4-dichloro-1,3-thiazole-5-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2,4-dichloro-1,3-thiazole-5-carboxylic acid
Description:	2,4-Dichlorothiazole-5-carboxylic Acid (CAS# 62019-56-1) is a useful research chemical.
Molecular Weight:	198.03
Molecular Formula:	C4HCl2NO2S
Canonical SMILES:	C1(=C(N=C(S1)Cl)Cl)C(=O)O
InChI:	InChI=1S/C4HCl2NO2S/c5-2-1(3(8)9)10-4(6)7-2/h(H,8,9)
InChI Key:	AMEPJXXVIJZMJL-UHFFFAOYSA-N
Boiling Point:	385.016 °C at 760 mmHg
Density:	1.824 g/cm³
MDL:	MFCD09909676
LogP:	2.14810

Publication Number	Title	Priority Date
US-2019084975-A1	Compounds, compositions, and methods	20160311
WO-2017156493-A1	Compounds, compositions, and methods	20160311
US-11028080-B2	Substituted pyrimidines as LRKK2 inhibitors	20160311
US-2021300914-A1	Substituted pyrimidines as lrkk2 inhibitors	20160311
EP-3077380-A1	Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase	20131204

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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:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9105048
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.9105048
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7