Methyl 5-Methyl-2-thiazolecarboxylate - CAS 79247-98-6

Catalog:	BB036319
Product Name:	Methyl 5-Methyl-2-thiazolecarboxylate
CAS:	79247-98-6
Synonyms:	5-methyl-2-thiazolecarboxylic acid methyl ester; methyl 5-methyl-1,3-thiazole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-methyl-1,3-thiazole-2-carboxylate
Description:	Methyl 5-Methyl-2-thiazolecarboxylate (CAS# 79247-98-6) is a useful research chemical.
Molecular Weight:	157.19
Molecular Formula:	C6H7NO2S
Canonical SMILES:	CC1=CN=C(S1)C(=O)OC
InChI:	InChI=1S/C6H7NO2S/c1-4-3-7-5(10-4)6(8)9-2/h3H,1-2H3
InChI Key:	RYIXYFPZODBRMO-UHFFFAOYSA-N
Boiling Point:	234 °C
Density:	1.244 g/cm³
MDL:	MFCD01924773
LogP:	1.23810

Publication Number	Title	Priority Date
WO-2020095912-A1	Benzimidazole derivative	20181106
TW-202031644-A	Benzimidazole derivative	20181106
EP-3564239-A1	Aryl hydrocarbon receptor modulator	20161226
US-2017226127-A1	Compounds, compositions and methods	20160205
US-2018022759-A1	Compounds, compositions and methods	20160205

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Complexity:	140
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.01974964
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5