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2-Methyl-3-nitrothiophene-5-carboxylic Acid

2-Methyl-3-nitrothiophene-5-carboxylic Acid - CAS 36050-35-8

Catalog:	BB022837
Product Name:	2-Methyl-3-nitrothiophene-5-carboxylic Acid
CAS:	36050-35-8
Synonyms:	5-methyl-4-nitro-2-thiophenecarboxylic acid; 5-methyl-4-nitrothiophene-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methyl-4-nitrothiophene-2-carboxylic acid
Description:	2-Methyl-3-nitrothiophene-5-carboxylic Acid (CAS# 36050-35-8) is a useful research chemical.
Molecular Weight:	187.17
Molecular Formula:	C6H5NO4S
Canonical SMILES:	CC1=C(C=C(S1)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C6H5NO4S/c1-3-4(7(10)11)2-5(12-3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:	HUDBBNDAVUUGEF-UHFFFAOYSA-N
Boiling Point:	368.4 °C at 760 mmHg
Density:	1.565 g/cm³
LogP:	2.18610

Publication Number	Title	Priority Date
WO-2016128905-A1	Thienopyrrole compounds as s-nitrosoglutathione reductase inhibitors	20150210
WO-2014041518-A1	Thienopyrrole derivatives as itk inhibitors	20120914
CN-103467481-A	Dihydropyridine compounds, compositions thereof, preparation method and applications	20120607
CN-103467481-B	Dihydropyridine compounds, a combination thereof thing, preparation method and purposes	20120607
US-2012245178-A1	Certain triazolopyridines and ttriazolopyrazines, compositions tthereof and methods of use therefor	20091231

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.99392881
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.99392881
Rotatable Bond Count:	1
Topological Polar Surface Area:	111 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7