3-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinone

Modify Date: 2025-09-13 03:34:49

3-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinone structure	Common Name	3-(2-Fluorophenyl)-2-(methylthio)-4(3H)-pyrimidinone
	CAS Number	89069-19-2	Molecular Weight	236.26500
	Density	1.29g/cm3	Boiling Point	347.7ºC at 760 mmHg
	Molecular Formula	C₁₁H₉FN₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	164.1ºC

Name	3-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-one

Density	1.29g/cm3
Boiling Point	347.7ºC at 760 mmHg
Molecular Formula	C₁₁H₉FN₂OS
Molecular Weight	236.26500
Flash Point	164.1ºC
Exact Mass	236.04200
PSA	60.19000
LogP	2.09350
Index of Refraction	1.614
InChIKey	PCRAYWOXYGXYNF-UHFFFAOYSA-N
SMILES	CSc1nccc(=O)n1-c1ccccc1F

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7485000

CHEMICAL NAME :: 4(3H)-Pyrimidinone, 3-(2-fluorophenyl)-2-(methylthio)-

CAS REGISTRY NUMBER :: 89069-19-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H9-F-N2-O-S

MOLECULAR WEIGHT :: 236.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia

REFERENCE :: IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 22,789,1983

N-(2-fluorophen...

CAS#:82635-66-3

Ethyl propiolate

CAS#:623-47-2

~57%

3-(2-Fluorophen...

CAS#:89069-19-2

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C.; Dua, P. R.; Prasad, C. R.; Anand, Nitya Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 8 p. 789 - 794

Precursor 2
CAS#:82635-66-3 N-(2-fluorophen... CAS#:623-47-2 Ethyl propiolate
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