1-(2-Fluorophenyl)thiourea - CAS 656-32-6

Catalog:	BB032783
Product Name:	1-(2-Fluorophenyl)thiourea
CAS:	656-32-6
Synonyms:	(2-fluorophenyl)thiourea; (2-fluorophenyl)thiourea

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Computed Properties

IUPAC Name:	(2-fluorophenyl)thiourea
Description:	1-(2-Fluorophenyl)thiourea (CAS# 656-32-6) is a useful research chemical.
Molecular Weight:	170.21
Molecular Formula:	C7H7FN2S
Canonical SMILES:	C1=CC=C(C(=C1)NC(=S)N)F
InChI:	InChI=1S/C7H7FN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:	WYVZQQOFMQRNPF-UHFFFAOYSA-N
Boiling Point:	257 °C at 760 mmHg
Density:	1.397 g/cm³
MDL:	MFCD00041148
LogP:	2.25450

Publication Number	Title	Priority Date
WO-2021166952-A1	Method for producing polythioether compound	20200219
CN-112582673-A	Lithium ion battery electrolyte and lithium ion battery	20190929
CN-110590785-A	Aminothiazole compound, preparation method thereof and application of aminothiazole compound in resisting enterovirus 71	20190923
CN-110590785-B	Aminothiazole compound, preparation method thereof and application of aminothiazole compound in resisting enterovirus 71	20190923
US-2020102228-A1	METHODS OF DEGRADING ORGANIC POLLUTANTS AND PREVENTING OR TREATING MICROBE USING Bi2S3-CdS PARTICLES	20180927

PMID	Publication Date	Title	Journal
22589901	20120401	N-(4-Chloro-butano-yl)-N'-[2-(trifluoro-meth-yl)phen-yl]thio-urea	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H301 (85.71%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	151
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:	1.5