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

Modify Date: 2025-08-25 19:30:46

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
InChIKey OMWWJHVYRYUDQO-UHFFFAOYSA-N
SMILES Cn1nnnc1SCCCC(=O)c1cccs1

 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)
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