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4-HYDROXY-2-(METHYLTHIO)-6-(TRIFLUOROMETHYL)PYRIMIDINE - 97%, high purity , CAS No.16097-62-4

COA

Grade & Purity:

≥97%

Cas Number: 16097-62-4
Molecular Weight: 210.18
MDL number: MFCD00153191
PubChem CID: 135410006

In stock

Item Number

H132662

Grouped product items
SKU	Size	Availability	Price
H132662-1g	1g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$18.90
H132662-5g	5g	5	$71.90
H132662-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$320.90

View related series

Pyrimidines (539) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	AC-27634 \| MFCD00153191 \| SCHEMBL602201 \| Z1037335534 \| DTXSID60289798 \| 2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol \| 4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine, 97% \| 2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinol \| 4-Hydroxy-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Pyrimidones Alkylarylthioethers Hydropyrimidines Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-methylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
INCHI	InChI=1S/C6H5F3N2OS/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12)
InChIKey	BRLPDRZKOMZVOY-UHFFFAOYSA-N
Smiles	CSC1=NC(=CC(=O)N1)C(F)(F)F
Isomeric SMILES	CSC1=NC(=CC(=O)N1)C(F)(F)F
WGK Germany	3
Molecular Weight	210.18
Reaxy-Rn	8617406
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8617406&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
J1923072	Certificate of Analysis	Aug 01, 2023	H132662
L2208491	Certificate of Analysis	Dec 28, 2022	H132662
K2230116	Certificate of Analysis	Dec 08, 2022	H132662

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	176-180℃
Molecular Weight	210.180 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	210.007 Da
Monoisotopic Mass	210.007 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	295.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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