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

Modify Date: 2025-09-22 17:29:23

4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl- structure	Common Name	4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl-
	CAS Number	89069-18-1	Molecular Weight	218.27500
	Density	1.21g/cm3	Boiling Point	351.3ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₀N₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	166.2ºC

Name	2-methylsulfanyl-3-phenylpyrimidin-4-one

Density	1.21g/cm3
Boiling Point	351.3ºC at 760 mmHg
Molecular Formula	C₁₁H₁₀N₂OS
Molecular Weight	218.27500
Flash Point	166.2ºC
Exact Mass	218.05100
PSA	60.19000
LogP	1.95440
Index of Refraction	1.628
InChIKey	IYSKEUCJRMYJIY-UHFFFAOYSA-N
SMILES	CSc1nccc(=O)n1-c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7537800

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

CAS REGISTRY NUMBER :: 89069-18-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H10-N2-O-S

MOLECULAR WEIGHT :: 218.29

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 :: Kidney, Ureter, Bladder - urine volume increased Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation

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

1-phenyl-2-meth...

CAS#:3898-07-5

Ethyl propiolate

CAS#:623-47-2

~61%

4(3H)-Pyrimidin...

CAS#:89069-18-1

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

ketene

CAS#:463-51-4

1-phenyl-4-dime...

CAS#:112519-62-7

4(3H)-Pyrimidin...

CAS#:89069-18-1

Literature: Friot, Celine; Reliquet, Alain; Reliquet, Francoise; Meslin, Jean Claude Synthesis, 2000 , # 5 p. 695 - 702

Precursor 4
CAS#:3898-07-5 1-phenyl-2-meth... CAS#:623-47-2 Ethyl propiolate CAS#:463-51-4 ketene CAS#:112519-62-7 1-phenyl-4-dime...
DownStream 0

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