5-[(2-methoxyanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Modify Date: 2024-04-05 15:07:19

5-[(2-methoxyanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one structure	Common Name	5-[(2-methoxyanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
	CAS Number	89665-66-7	Molecular Weight	263.31600
	Density	1.35g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₂H₁₃N₃O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	5-[(2-methoxyanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Synonym	More Synonyms

Density	1.35g/cm3
Molecular Formula	C₁₂H₁₃N₃O₂S
Molecular Weight	263.31600
Exact Mass	263.07300
PSA	106.07000
LogP	2.16460
Index of Refraction	1.664
InChIKey	LSMQZYATJWOCSZ-UHFFFAOYSA-N
SMILES	COc1ccccc1NCc1c[nH]c(=S)[nH]c1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7397600

CHEMICAL NAME :: 4(1H)-Pyrimidinone, 2,3-dihydro-5-(((2-methoxyphenyl)amino)methyl)-2-thio xo-

CAS REGISTRY NUMBER :: 89665-66-7

LAST UPDATED :: 199212

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H13-N3-O2-S

MOLECULAR WEIGHT :: 263.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: >1 gm/kg

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

REFERENCE :: IJSIDW Indian Journal of Pharmaceutical Sciences. (Kalina, Santa Cruz (East), Bombay 400 029, India) V.40(2)- 1978- Volume(issue)/page/year: 45,199,1983

4(1H)-Pyrimidinone,2,3-dihydro-5-(((2-methoxyphenyl)amino)methyl)-2-thioxo

5-(((2-Methoxyphenyl)amino)methyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

5-(N-o-Methoxyphenyl)aminomethyl-2-thiouracil

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