ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Modify Date: 2024-04-05 18:41:05

ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Structure
ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure
 Common Name ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number 51486-13-6 Molecular Weight 298.42400
Density 1.297g/cm3 Boiling Point 448.6ºC at 760 mmHg
Molecular Formula C13H18N2O2S2 Melting Point N/A
MSDS N/A Flash Point 225.1ºC

 Names

Name ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.297g/cm3
Boiling Point 448.6ºC at 760 mmHg
Molecular Formula C13H18N2O2S2
Molecular Weight 298.42400
Flash Point 225.1ºC
Exact Mass 298.08100
PSA 110.69000
LogP 3.18370
Index of Refraction 1.641

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9608500
CHEMICAL NAME :
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl) amino)-, ethyl ester
CAS REGISTRY NUMBER :
51486-13-6
BEILSTEIN REFERENCE NO. :
1433547
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H18-N2-O2-S2
MOLECULAR WEIGHT :
298.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression Lungs, Thorax, or Respiration - other changes
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,635,1990

 Synthetic Route

ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure

ETHYL 2-AMINO-4...

CAS#:4506-71-2

Methyl isothiocyanate structure

Methyl isothioc...

CAS#:556-61-6

~82%

ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Structure

ethyl 2-(methyl...

CAS#:51486-13-6

Literature: Talukdar, P. D.; Sengupta, S. K.; Datta, A. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 7 p. 538 - 542

 Synonyms

hms2886k06
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Chemsrc provides CAS#:51486-13-6 MSDS, density, melting point, boiling point, structure, etc. Its name is ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate>> amp version: ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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