5-(5-chloroindol-2-ylidene)-4-phenyl-1,2,4-triazolidine-3-thione

Modify Date: 2025-09-29 23:52:12

5-(5-chloroindol-2-ylidene)-4-phenyl-1,2,4-triazolidine-3-thione structure	Common Name	5-(5-chloroindol-2-ylidene)-4-phenyl-1,2,4-triazolidine-3-thione
	CAS Number	126016-36-2	Molecular Weight	326.80300
	Density	1.49g/cm3	Boiling Point	395.8ºC at 760mmHg
	Molecular Formula	C₁₆H₁₁ClN₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	193.1ºC

Name	5-(5-chloroindol-2-ylidene)-4-phenyl-1,2,4-triazolidine-3-thione

Density	1.49g/cm3
Boiling Point	395.8ºC at 760mmHg
Molecular Formula	C₁₆H₁₁ClN₄S
Molecular Weight	326.80300
Flash Point	193.1ºC
Exact Mass	326.03900
PSA	84.77000
LogP	1.08130
Vapour Pressure	1.8E-06mmHg at 25°C
Index of Refraction	1.771
InChIKey	UJZIXXYOTXVQDW-UHFFFAOYSA-N
SMILES	S=c1[nH]nc(-c2cc3cc(Cl)ccc3[nH]2)n1-c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5358520

CHEMICAL NAME :: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(5-chloro-1H-indol-2-yl)-4-phenyl-

CAS REGISTRY NUMBER :: 126016-36-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H11-Cl-N4-S

MOLECULAR WEIGHT :: 326.82

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 :: INDRBA Indian Drugs. (Indian Drugs Manufacturers' Assoc., 102B, Poonam Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India) V.1- 1963- Volume(issue)/page/year: 29,616,1992

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