4(3H)-Pyrimidinone,3-(2-chlorophenyl)-2-(methylthio)-

Modify Date: 2025-09-22 19:39:40

4(3H)-Pyrimidinone,3-(2-chlorophenyl)-2-(methylthio)- structure	Common Name	4(3H)-Pyrimidinone,3-(2-chlorophenyl)-2-(methylthio)-
	CAS Number	89069-22-7	Molecular Weight	252.72000
	Density	1.34g/cm3	Boiling Point	378.6ºC at 760 mmHg
	Molecular Formula	C₁₁H₉ClN₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	182.8ºC

Name	3-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-one
Synonym	More Synonyms

Density	1.34g/cm3
Boiling Point	378.6ºC at 760 mmHg
Molecular Formula	C₁₁H₉ClN₂OS
Molecular Weight	252.72000
Flash Point	182.8ºC
Exact Mass	252.01200
PSA	60.19000
LogP	2.60780
Index of Refraction	1.644
InChIKey	IDTUJLPSXBZZGV-UHFFFAOYSA-N
SMILES	CSc1nccc(=O)n1-c1ccccc1Cl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7387450

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

CAS REGISTRY NUMBER :: 89069-22-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

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

MOLECULAR WEIGHT :: 252.73

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 :: >400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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-chlorophen...

CAS#:80306-62-3

Ethyl propiolate

CAS#:623-47-2

~49%

4(3H)-Pyrimidin...

CAS#:89069-22-7

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#:80306-62-3 N-(2-chlorophen... CAS#:623-47-2 Ethyl propiolate
DownStream 0

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

4(3H)-Pyrimidinone,3-(2-chlorophenyl)-2-(methylthio)

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4(3H)-Pyrimidinone,3-(2-chlorophenyl)-2-(methylthio)-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

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