s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-tolyl)-

Modify Date: 2025-09-20 14:37:27

s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-tolyl)- structure	Common Name	s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-tolyl)-
	CAS Number	68869-46-5	Molecular Weight	373.47100
	Density	1.21g/cm3	Boiling Point	543.5ºC at 760 mmHg
	Molecular Formula	C₂₂H₁₉N₃OS	Melting Point	N/A
	MSDS	N/A	Flash Point	282.5ºC

Name	4-(4-methylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Density	1.21g/cm3
Boiling Point	543.5ºC at 760 mmHg
Molecular Formula	C₂₂H₁₉N₃OS
Molecular Weight	373.47100
Flash Point	282.5ºC
Exact Mass	373.12500
PSA	78.74000
LogP	5.11040
Index of Refraction	1.652
InChIKey	WSMDCLNELKLZBI-UHFFFAOYSA-N
SMILES	Cc1ccc(-n2c(COc3ccc(-c4ccccc4)cc3)n[nH]c2=S)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5270155

CHEMICAL NAME :: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-tolyl)-

CAS REGISTRY NUMBER :: 68869-46-5

LAST UPDATED :: 199401

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C22-H19-N3-O-S

MOLECULAR WEIGHT :: 373.50

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 :: PWPSA8 Proceedings of the Western Pharmacology Society. (Univ. of California Dept. of Pharmacology, Los Angeles, CA 90024) V.1- 1958- Volume(issue)/page/year: 21,223,1978

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