80087-46-3

80087-46-3 structure

80087-46-3 structure

Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one
Chemical Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-thiophen-2-ylbutan-1-one
CAS Number: 80087-46-3
Molecular Formula: C₁₀H₁₂N₄OS₂
Molecular Weight: 268.35800
Create Date: 2017-05-13 11:52:47
Modify Date: 2023-10-17 15:40:05

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

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

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

43076-59-1 structure

43076-59-1

13183-79-4 structure

13183-79-4

~48%

80087-46-3 structure

80087-46-3

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