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

4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine - CAS 16097-62-4

Name: 4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011691
Product Name:	4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine
CAS:	16097-62-4
Synonyms:	2-methylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

Technical Data

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Computed Properties

IUPAC Name:	2-methylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
Description:	4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine (CAS# 16097-62-4) is a useful research chemical.
Molecular Weight:	210.18
Molecular Formula:	C6H5F3N2OS
Canonical SMILES:	CSC1=NC(=CC(=O)N1)C(F)(F)F
InChI:	InChI=1S/C6H5F3N2OS/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12)
InChI Key:	BRLPDRZKOMZVOY-UHFFFAOYSA-N
Boiling Point:	205.7 °C at 760 mmHg
Density:	1.55 g/cm³
Appearance:	Solid
MDL:	MFCD00153191
LogP:	1.92290

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Related Functional Groups

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

GHS Hazard Statement:	H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020108590-A1	Pyrimidine and five-membered nitrogen heterocycle derivative, preparation method therefor, and medical uses thereof	20181130
CN-113272303-A	Pyrimido five-membered nitrogen heterocyclic derivative, preparation method and application thereof in medicine	20181130
EP-3889153-A1	Pyrimidine and five-membered nitrogen heterocycle derivative, preparation method therefor, and medical uses thereof	20181130
KR-20210097144-A	Pyrimidine and 5-membered nitrogen heterocycle derivatives, methods for their preparation, and medical uses thereof	20181130
WO-2019243550-A1	Thiophene derivatives for the treatment of disorders caused by ige	20180621

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.00746845
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.00746845
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1