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3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione - CAS 353292-92-9

Catalog:	BB054420
Product Name:	3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CAS:	353292-92-9
Synonyms:	3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(4-chloro-2-fluoro-5-sulfanylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
Molecular Weight:	354.71
Molecular Formula:	C12H7ClF4N2O2S
Canonical SMILES:	CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)S)C(F)(F)F
InChI:	InChI=1S/C12H7ClF4N2O2S/c1-18-9(12(15,16)17)4-10(20)19(11(18)21)7-3-8(22)5(13)2-6(7)14/h2-4,22H,1H3
InChI Key:	ZPRGFMFNRURQDU-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[1975118-13-8]
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1597-32-6]
2-Amino-6-fluoropyridine
[351-28-0]
3'-Fluoroacetanilide
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	528
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	353.985289
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	353.985289
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7