(4-Fluorophenyl)thiourea - CAS 459-05-2

Catalog:	BB026011
Product Name:	(4-Fluorophenyl)thiourea
CAS:	459-05-2
Synonyms:	(4-fluorophenyl)thiourea

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(4-fluorophenyl)thiourea
Description:	(4-Fluorophenyl)thiourea (CAS# 459-05-2) is a useful research chemical.
Molecular Weight:	170.21
Molecular Formula:	C7H7FN2S
Canonical SMILES:	C1=CC(=CC=C1NC(=S)N)F
InChI:	InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:	BRWKXKNZRVALNZ-UHFFFAOYSA-N
Boiling Point:	264.2 °C at 760 mmHg
Purity:	> 95 %
Density:	1.397 g/cm³
MDL:	MFCD00041180
LogP:	2.25450

Publication Number	Title	Priority Date
WO-2021062245-A1	Pyridone compounds and methods of use in the modulation of a protein kinase	20190926
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
US-2020239452-A1	IDO/TDO Inhibitor	20171019

PMID	Publication Date	Title	Journal
21587802	20100605	1-(4-Fluoro-phen-yl)thio-urea	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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Other Pyrimidines

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[451-46-7]
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[1489-53-8]
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[67490-21-5]
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[1192570-20-9]
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Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

GHS Hazard Statement:	H301 (97.83%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.03139757
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.03139757
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6