4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione

Modify Date: 2024-01-06 01:11:32

4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione Structure
4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione structure
 Common Name 4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione
CAS Number 115398-72-6 Molecular Weight 280.30300
Density 1.66g/cm3 Boiling Point 416.2ºC at 760 mmHg
Molecular Formula C11H12N4O3S Melting Point N/A
MSDS N/A Flash Point 205.5ºC

 Names

Name 4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione

 Chemical & Physical Properties

Density 1.66g/cm3
Boiling Point 416.2ºC at 760 mmHg
Molecular Formula C11H12N4O3S
Molecular Weight 280.30300
Flash Point 205.5ºC
Exact Mass 280.06300
PSA 123.22000
LogP 1.73050
Vapour Pressure 3.89E-07mmHg at 25°C
Index of Refraction 1.753

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5358350
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)eth yl)-
CAS REGISTRY NUMBER :
115398-72-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N4-O3-S
MOLECULAR WEIGHT :
280.33

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 :
>800 mg/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: 25,301,1988

 Synthetic Route

Thiocarbohydrazide structure

Thiocarbohydrazide

CAS#:2231-57-4
2-(1,3-benzodioxol-5-yloxy)propanoic acid structure

2-(1,3-benzodio...

CAS#:106690-34-0

~5%

4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione Structure

4-amino-3-[1-(1...

CAS#:115398-72-6
Literature: Prasad; Ramalingam; Rao; Diwan; Sattur European Journal of Medicinal Chemistry, 1989 , vol. 24, # 2 p. 199 - 201
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Chemsrc provides CAS#:115398-72-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione>> amp version: 4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione

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