2-((2-Methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-6-benzo thiazolamine

Modify Date: 2025-11-26 12:39:57

2-((2-Methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-6-benzo thiazolamine structure	Common Name	2-((2-Methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-6-benzo thiazolamine
	CAS Number	82746-83-6	Molecular Weight	396.53200
	Density	1.38g/cm3	Boiling Point	632.3ºC at 760 mmHg
	Molecular Formula	C₁₉H₂₀N₆S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	336.2ºC

Name	2-(2-methylpropylsulfanyl)-N-[(5-phenyltetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine

Density	1.38g/cm3
Boiling Point	632.3ºC at 760 mmHg
Molecular Formula	C₁₉H₂₀N₆S₂
Molecular Weight	396.53200
Flash Point	336.2ºC
Exact Mass	396.11900
PSA	122.06000
LogP	4.84050
Index of Refraction	1.732
InChIKey	AUGBURTXABTMIJ-UHFFFAOYSA-N
SMILES	CC(C)CSc1nc2ccc(NCn3nnnc3-c3ccccc3)cc2s1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL0863000

CHEMICAL NAME :: 6-Benzothiazolamine, 2-((2-methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-y l)methyl)-

CAS REGISTRY NUMBER :: 82746-83-6

LAST UPDATED :: 198806

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H20-N6-S2

MOLECULAR WEIGHT :: 396.57

WISWESSER LINE NOTATION :: T56 BN DS CHJ CS1Y1&1 GM1- AT5NNNNJ ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 33,230,1984

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