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

Modify Date: 2024-09-22 19:10:10

4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one Structure
4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one structure
Common Name 4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one
CAS Number 80087-46-3 Molecular Weight 268.35800
Density 1.43g/cm3 Boiling Point 490.3ºC at 760 mmHg
Molecular Formula C10H12N4OS2 Melting Point N/A
MSDS N/A Flash Point 250.3ºC

 Names

Name 4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one
Synonym More Synonyms

 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

~48%

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

4-(1-methyltetr...

CAS#:80087-46-3

Literature: Uchida; Komatsu; Morita; Kanbe; Yamasaki; Nakagawa Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 4 p. 958 - 961

 Synonyms

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)