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	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

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

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

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

ETHYL 2-AMINO-4...

CAS#:4506-71-2

Methyl isothioc...

CAS#:556-61-6

~82%

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

Precursor 2
CAS#:4506-71-2 ETHYL 2-AMINO-4... CAS#:556-61-6 Methyl isothioc...
DownStream 1
CAS#:59898-74-7 (3-METHYL-4-OXO...

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.