5-Nitro-2-thiophenecarboxaldehyde - CAS 4521-33-9
Catalog: |
BB025792 |
Product Name: |
5-Nitro-2-thiophenecarboxaldehyde |
CAS: |
4521-33-9 |
Synonyms: |
5-nitrothiophene-2-carbaldehyde |
IUPAC Name: | 5-nitrothiophene-2-carbaldehyde |
Description: | 5-Nitro-2-thiophenecarboxaldehyde (CAS# 4521-33-9) is a reagent that is used in the activity of mefloquine-oxazolidine derivatives against multidrug-resistant Mycobacterium tuberculosis. |
Molecular Weight: | 157.15 |
Molecular Formula: | C5H3NO3S |
Canonical SMILES: | C1=C(SC(=C1)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C5H3NO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3H |
InChI Key: | CHTSWZNXEKOLPM-UHFFFAOYSA-N |
Boiling Point: | 297.2 °C at 760 mmHg |
Melting Point: | 75-77 °C (lit.) |
Purity: | 95 % |
Density: | 1.534 g/cm3 |
Appearance: | Pale-yellow solid |
MDL: | MFCD00005433 |
LogP: | 1.99200 |
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 |
Publication Number | Title | Priority Date |
CN-112939929-A | Synthetic method of 5-nitrothiophene-2-formaldehyde | 20210320 |
WO-2021119808-A1 | Antiviral compounds, compositions and methods of use | 20191216 |
CN-110437281-A | A kind of prodrug small molecule containing different nitro heteroaromatics that pyridiniujm is modified | 20190718 |
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WO-2020156832-A1 | Dichroic azo-azomethine dyes for liquid crystal compositions | 20190201 |
PMID | Publication Date | Title | Journal |
22347015 | 20120201 | (Z)-2-Meth-oxy-N-[(5-nitro-thio-phen-2-yl)methyl-idene]aniline | Acta crystallographica. Section E, Structure reports online |
22347030 | 20120201 | 3-Chloro-4-(4-chloro-phen-oxy)-N-[(Z)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline | Acta crystallographica. Section E, Structure reports online |
22064527 | 20110901 | 4-Methyl-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 |
18336334 | 20080301 | Synthesis of some thiophene, imidazole and pyridine derivatives exhibiting good anti-inflammatory and analgesic activities | Medicinal chemistry (Shariqah (United Arab Emirates)) |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.98336413 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.98336413 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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