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4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol

4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol - CAS 368-54-7

Catalog:	BB023114
Product Name:	4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol
CAS:	368-54-7
Synonyms:	2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one

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Computed Properties

IUPAC Name:	2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
Description:	4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol (CAS# 368-54-7) is a useful research chemical.
Molecular Weight:	197.16
Molecular Formula:	C5H4F3N2OS
Canonical SMILES:	C1=C(NC(=S)NC1=O)C(F)(F)F
InChI:	InChI=1S/C5H3F3N2OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
InChI Key:	YZAOETRYQWFEOY-UHFFFAOYSA-N
Boiling Point:	325.6 °C at 760 mmHg
Melting Point:	246-250 °C
Purity:	95 %
Density:	1.63 g/cm³
Appearance:	Solid
MDL:	MFCD00112978
LogP:	1.48970

Publication Number	Title	Priority Date
CN-113046017-A	Insulating material for cable sealing and preparation method thereof	20210415
CN-111196783-A	2,4, 6-substituted pyrimidine derivatives containing acyl urea structure, and preparation method and application thereof	20200119
US-2021188874-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
US-2021221824-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108408-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125

PMID	Publication Date	Title	Journal
19715338	20091201	EC-STM study of potential-controlled adsorption of substituted pyrimidinethiol on Au(111)	Langmuir : the ACS journal of surfaces and colloids

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[6633-90-5]
1,4-Butanedithiol diacetate
[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
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

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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:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.99181838
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	195.99181838
Rotatable Bond Count:	0
Topological Polar Surface Area:	73.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5