1-(4-Nitrophenyl)-2-thiourea - CAS 3696-22-8

Catalog:	BB023156
Product Name:	1-(4-Nitrophenyl)-2-thiourea
CAS:	3696-22-8
Synonyms:	(4-nitrophenyl)thiourea

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(4-nitrophenyl)thiourea
Description:	1-(4-Nitrophenyl)-2-thiourea (CAS# 3696-22-8) is a useful research chemical.
Molecular Weight:	197.21
Molecular Formula:	C7H7N3O2S
Canonical SMILES:	C1=CC(=CC=C1NC(=S)N)[N+](=O)[O-]
InChI:	InChI=1S/C7H7N3O2S/c8-7(13)9-5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9,13)
InChI Key:	BLYAANPIHFKKMQ-UHFFFAOYSA-N
Boiling Point:	365.5 °C at 760 mmHg
Density:	1.524 g/cm³
MDL:	MFCD00007304
LogP:	2.54680

Publication Number	Title	Priority Date
CN-111704620-A	High-optical-purity [3, 2' ] -pyrrolidine chiral spiro-oxoindole skeleton compound, and preparation method and application thereof	20200724
WO-2021166952-A1	Method for producing polythioether compound	20200219
US-2020102228-A1	METHODS OF DEGRADING ORGANIC POLLUTANTS AND PREVENTING OR TREATING MICROBE USING Bi2S3-CdS PARTICLES	20180927
US-10934176-B2	Methods of degrading organic pollutants and preventing or treating microbe using Bi2S3-CdS particles	20180927
US-2021061670-A1	Method for preventing or reducing growth of a microorganism on a surface	20180927

PMID	Publication Date	Title	Journal
21116518	20110207	Thiourea-tagged poly(octadecyl acrylate) gels as fluoride and acetate responsive polymer gels through selective complexation	Chemical communications (Cambridge, England)
20370709	20100601	The peptidomimetic, 1-adamantyl-substituted, and flex-het classes of retinoid-derived molecules: structure-activity relationships and retinoid receptor-independent anticancer activities	Mini reviews in medicinal chemistry
19581100	20090801	Discovery of novel thiourea derivatives as potent and selective beta3-adrenergic receptor agonists	Bioorganic & medicinal chemistry

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

GHS Hazard Statement:	H301 (97.73%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.02589765
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	197.02589765
Rotatable Bond Count:	1
Topological Polar Surface Area:	116 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7