4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol - CAS 22706-11-2

Catalog:	BB017717
Product Name:	4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol
CAS:	22706-11-2
Synonyms:	4-amino-3-phenyl-1H-1,2,4-triazole-5-thione

Technical Data

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Computed Properties

IUPAC Name:	4-amino-3-phenyl-1H-1,2,4-triazole-5-thione
Description:	4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS# 22706-11-2) is a useful research chemical.
Molecular Weight:	192.24
Molecular Formula:	C8H8N4S
Canonical SMILES:	C1=CC=C(C=C1)C2=NNC(=S)N2N
InChI:	InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13)
InChI Key:	OKNHZPGPLNUEPC-UHFFFAOYSA-N
Boiling Point:	309.4 °C at 760 mmHg
Density:	1.47 g/cm³
Appearance:	Solid
MDL:	MFCD00269264
LogP:	1.52880

Publication Number	Title	Priority Date
US-11104588-B1	Solar distillation system with integrated cooling and controller	20200414
US-2021317008-A1	Method for producing fresh water from saline water using solar energy	20200414
US-2021207019-A1	Method of removing iron-containing scale from a wellbore, pipe, or surface using a biodegradable descaler solution	20200103
WO-2020220018-A1	Methods for treating against viruses	20190426
US-2019241752-A1	Soluble corrosion resistant sol-gel	20180202

PMID	Publication Date	Title	Journal
22444681	20120415	Thiosemicarbazone fragment embedded within 1,2,4-triazole ring as inhibitors of Entamoeba histolytica	Bioorganic & medicinal chemistry letters
21454157	20110401	Synthesis and biological evaluation of some schiff bases of [4-(amino)-5-phenyl-4H-1, 2,4-triazole-3-thiol]	Pakistan journal of pharmaceutical sciences
18827398	20081001	Synthesis, anti-bacterial and anti-oxidant properties of thiadiazaphosphol-2-ones	Chemical & pharmaceutical bulletin
21202676	20080530	4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Triazole/Tetrazole

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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

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.04696745
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	192.04696745
Rotatable Bond Count:	1
Topological Polar Surface Area:	85.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9