4,5-Dimethylthiazole-2-carboxylic Acid - CAS 79312-41-7

Catalog:	BB036324
Product Name:	4,5-Dimethylthiazole-2-carboxylic Acid
CAS:	79312-41-7
Synonyms:	4,5-dimethyl-2-thiazolecarboxylic acid; 4,5-dimethyl-1,3-thiazole-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4,5-dimethyl-1,3-thiazole-2-carboxylic acid
Description:	4,5-Dimethylthiazole-2-carboxylic Acid (CAS# 79312-41-7 ) is a useful research chemical.
Molecular Weight:	157.19
Molecular Formula:	C6H7NO2S
Canonical SMILES:	CC1=C(SC(=N1)C(=O)O)C
InChI:	InChI=1S/C6H7NO2S/c1-3-4(2)10-5(7-3)6(8)9/h1-2H3,(H,8,9)
InChI Key:	ICWKPMXHMDXUNE-UHFFFAOYSA-N
MDL:	MFCD11934399
LogP:	1.45810

Publication Number	Title	Priority Date
WO-2020150626-A1	Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors	20190118
CN-110167944-A	Substituted pyrazolo azepine * -4- ketone and its purposes as phosphodiesterase inhibitors	20161212
CN-110088103-A	For treating and preventing hepatitis b virus infected new tetrahydropyridine and pyrimidine compound	20161103
EP-3535262-A1	Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis b virus infection	20161103
JP-2019533696-A	Novel tetrahydropyridopyrimidine for treatment and prevention of hepatitis B virus infection	20161103

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.01974964
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.01974964
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6