5-Methylthiazole-2-carboxylic Acid - CAS 61291-21-2

Catalog:	BB031044
Product Name:	5-Methylthiazole-2-carboxylic Acid
CAS:	61291-21-2
Synonyms:	5-methyl-2-thiazolecarboxylic acid; 5-methyl-1,3-thiazole-2-carboxylic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	5-methyl-1,3-thiazole-2-carboxylic acid
Description:	5-Methylthiazole-2-carboxylic Acid (CAS# 61291-21-2) is a useful research chemical.
Molecular Weight:	143.16
Molecular Formula:	C5H5NO2S
Canonical SMILES:	CC1=CN=C(S1)C(=O)O
InChI:	InChI=1S/C5H5NO2S/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)
InChI Key:	UYDGNRLMYZMDOG-UHFFFAOYSA-N
Boiling Point:	317.135 °C at 760 mmHg
Density:	1.418 g/cm³
MDL:	MFCD08060736
LogP:	1.14970

Publication Number	Title	Priority Date
WO-2021127643-A1	Fluoroalkyl-oxadiazoles and uses thereof	20191220
WO-2021092240-A1	Mrgprx2 antagonists for the treatment of inflammatory disorders	20191105
WO-2020264581-A1	Boron containing compounds and their uses	20190628
CN-111362882-A	Tricyclic diterpene 2-methylpyrimidine analogue and preparation method and application thereof	20181226
WO-2019241311-A1	Selective ligands for modulation of girk channels	20180611

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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:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.00409958
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.00409958
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2