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2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid

2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid - CAS 137267-29-9

Catalog:	BB008534
Product Name:	2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
CAS:	137267-29-9
Synonyms:	4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
Description:	2-Isopropyl-4-methyl-1,3-thiazole-5-carboxylic acid (CAS# 137267-29-9) is a useful research chemical.
Molecular Weight:	185.24
Molecular Formula:	C8H11NO2S
Canonical SMILES:	CC1=C(SC(=N1)C(C)C)C(=O)O
InChI:	InChI=1S/C8H11NO2S/c1-4(2)7-9-5(3)6(12-7)8(10)11/h4H,1-3H3,(H,10,11)
InChI Key:	MLCHZLUFNGBRSL-UHFFFAOYSA-N
Boiling Point:	309.4 °C at 760 mmHg
Density:	1.226 g/cm³
MDL:	MFCD09864423
LogP:	2.27310

Publication Number	Title	Priority Date
US-10344026-B2	Compositions and methods of targeting mutant K-ras	20170118
US-2018201610-A1	Compositions and methods of targeting mutant k-ras	20170118
EP-3277678-A1	Compositions and methods of targeting mutant k-ras	20150403
EP-3277678-B1	Compositions and methods of targeting mutant k-ras	20150403
US-10487078-B2	Compositions and methods of targeting mutant K-RAS	20150403

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Related Functional Groups

Carbonyl Compounds

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[55441-25-3]
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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
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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:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.05104977
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.05104977
Rotatable Bond Count:	2
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4