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

Modify Date: 2025-09-13 12:37:04

s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)- structure	Common Name	s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-
	CAS Number	68869-51-2	Molecular Weight	485.34100
	Density	1.56g/cm3	Boiling Point	579.4ºC at 760 mmHg
	Molecular Formula	C₂₁H₁₆IN₃OS	Melting Point	N/A
	MSDS	N/A	Flash Point	304.2ºC

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

Density	1.56g/cm3
Boiling Point	579.4ºC at 760 mmHg
Molecular Formula	C₂₁H₁₆IN₃OS
Molecular Weight	485.34100
Flash Point	304.2ºC
Exact Mass	485.00600
PSA	78.74000
LogP	5.40660
Index of Refraction	1.707
InChIKey	AGLPBFNEXCXWBE-UHFFFAOYSA-N
SMILES	S=c1[nH]nc(COc2ccc(-c3ccccc3)cc2)n1-c1ccc(I)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5270130

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

CAS REGISTRY NUMBER :: 68869-51-2

LAST UPDATED :: 199806

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H16-I-N3-O-S

MOLECULAR WEIGHT :: 485.36

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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Product Name: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-
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