2-Nitrothiophene - CAS 609-40-5

Catalog:	BB030866
Product Name:	2-Nitrothiophene
CAS:	609-40-5
Synonyms:	2-nitrothiophene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-nitrothiophene
Description:	2-Nitrothiophene (CAS# 609-40-5) is a useful compound in the synthesis of thiophene containing compounds.
Molecular Weight:	129.14
Molecular Formula:	C4H3NO2S
Canonical SMILES:	C1=CSC(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H
InChI Key:	JIZRGGUCOQKGQD-UHFFFAOYSA-N
Boiling Point:	224-225 °C
Melting Point:	38-45 °C
Purity:	98 %
Density:	1.36 g/cm³
Appearance:	White to light yellow crystal powder
Storage:	Keep Cold
MDL:	MFCD00005425
LogP:	2.17950

Publication Number	Title	Priority Date
CN-112042648-A	Methyl cinnamate as quorum sensing inhibitor and application thereof in treating bacterial diseases	20200805
CN-112043697-A	Application of benzothiazole compound as quorum sensing inhibitor in treatment of bacterial diseases	20200805
JP-2020176270-A	Liquid crystal composition, light absorption anisotropic film, laminate and image display device	20200721
WO-2021202959-A1	Therapeutic and diagnostic methods for cancer	20200403
WO-2021194481-A1	Dosing for treatment with anti-tigit and anti-pd-l1 antagonist antibodies	20200324

PMID	Publication Date	Title	Journal
22798793	20120701	(E)-4-Methyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline	Acta crystallographica. Section E, Structure reports online
22347015	20120201	(Z)-2-Meth-oxy-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline	Acta crystallographica. Section E, Structure reports online
22091038	20110801	2-Ethyl-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline	Acta crystallographica. Section E, Structure reports online
20578974	20110201	Synthesis and antileishmanial activity of 5-(5-nitroaryl)-2-substituted-thio-1,3,4-thiadiazoles	Journal of enzyme inhibition and medicinal chemistry
21991502	20110101	Helicobacter pylori Induces Disturbances in Gastric Mucosal Akt Activation through Inducible Nitric Oxide Synthase-Dependent S-Nitrosylation: Effect of Ghrelin	ISRN gastroenterology

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate

GHS Hazard Statement:	H302 (28.57%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.98844951
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.98844951
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6