4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one

Names

[ CAS No. ]:
80087-46-3

[ Name ]:
4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one

[Synonym ]:
1-Methyl-5-[3-(2-thenoyl)propyl]thio-1,2,3,4-tetrazole
4-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-1-butanone
1-Butanone,4-((1-methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)

Chemical & Physical Properties

[ Density]:
1.43g/cm3

[ Boiling Point ]:
490.3ºC at 760 mmHg

[ Molecular Formula ]:
C10H12N4OS2

[ Molecular Weight ]:
268.35800

[ Flash Point ]:
250.3ºC

[ Exact Mass ]:
268.04500

[ PSA ]:
114.21000

[ LogP ]:
2.02680

[ Index of Refraction ]:
1.708

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EL9212500
CHEMICAL NAME :
1-Butanone, 4-((1-methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-
CAS REGISTRY NUMBER :
80087-46-3
LAST UPDATED :
199703
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H12-N4-O-S2
MOLECULAR WEIGHT :
268.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4372953

Synthetic Route