(5Z)-3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-5-[(2-phenyl- 1H-indol-3-yl)methylidene]imidazol-4-one

Modify Date: 2025-10-07 21:02:38

(5Z)-3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-5-[(2-phenyl- 1H-indol-3-yl)methylidene]imidazol-4-one structure	Common Name	(5Z)-3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-5-[(2-phenyl- 1H-indol-3-yl)methylidene]imidazol-4-one
	CAS Number	143658-86-0	Molecular Weight	433.91300
	Density	1.47g/cm3	Boiling Point	679.7ºC at 760mmHg
	Molecular Formula	C₂₂H₁₆ClN₅OS	Melting Point	N/A
	MSDS	N/A	Flash Point	364.8ºC

Name	3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]imidazol-4-one

Density	1.47g/cm3
Boiling Point	679.7ºC at 760mmHg
Molecular Formula	C₂₂H₁₆ClN₅OS
Molecular Weight	433.91300
Flash Point	364.8ºC
Exact Mass	433.07600
PSA	102.48000
LogP	4.73190
Vapour Pressure	2.5E-18mmHg at 25°C
Index of Refraction	1.756
InChIKey	JVKNGZPZFATYCR-LFIBNONCSA-N
SMILES	Cc1nc(C=C2C(c3ccccc3)=Nc3ccccc32)c(O)n1-c1nnc(CCl)s1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NJ5065246

CHEMICAL NAME :: 4H-Imidazol-4-one, 3,5-dihydro-3-(5-(chloromethyl)-1,3,4-thiadiazol-2-yl )-2-methyl-5-((2- phenyl-1H-indol-3-yl)methylene)-

CAS REGISTRY NUMBER :: 143658-86-0

LAST UPDATED :: 199401

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C22-H16-Cl-N5-O-S

MOLECULAR WEIGHT :: 433.94

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 :: >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: 54,4,1992

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