Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester

Modify Date: 2025-08-28 00:54:48

Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester structure	Common Name	Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester
	CAS Number	5919-29-9	Molecular Weight	267.34400
	Density	1.253g/cm3	Boiling Point	492.9ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₇NO₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	251.9ºC

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

Density	1.253g/cm3
Boiling Point	492.9ºC at 760 mmHg
Molecular Formula	C₁₃H₁₇NO₃S
Molecular Weight	267.34400
Flash Point	251.9ºC
Exact Mass	267.09300
PSA	83.64000
LogP	2.83500
Index of Refraction	1.591
InChIKey	MYGDFSFTVVUJHF-UHFFFAOYSA-N
SMILES	CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL9603600

CHEMICAL NAME :: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester

CAS REGISTRY NUMBER :: 5919-29-9

BEILSTEIN REFERENCE NO. :: 1318072

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H17-N-O3-S

MOLECULAR WEIGHT :: 267.37

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 :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression

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: 15,413,1980

HS Code	2934999090

ETHYL 2-AMINO-4...

CAS#:4506-71-2

Acetyl chloride

CAS#:75-36-5

~97%

Benzo(b)thiophe...

CAS#:5919-29-9

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2003/104219 A1, 2003 ; Location in patent: Page 10; 12 ; WO 03/104219 A1

ETHYL 2-AMINO-4...

CAS#:4506-71-2

Ethanoic anhydride

CAS#:108-24-7

~97%

Benzo(b)thiophe...

CAS#:5919-29-9

Literature: Aurelio, Luigi; Flynn, Bernard L.; Scammells, Peter J. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 13 p. 4886 - 4902

ETHYL 2-AMINO-4...

CAS#:4506-71-2

Benzo(b)thiophe...

CAS#:5919-29-9

Literature: US2005/176742 A1, ;

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester

2-acetamido-3-carboethoxy-4,5-tetramethylenethiophene

ethyl 2-(acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Ethyl 4,5,6,7-tetrahydro-2-(acetylamino)benzo(b)thiophene-3-carboxylate

2-Acetylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

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

Benzo(b)thiophene-3-carboxylic acid,4,5,6,7-tetrahydro-2-(acetylamino)-,ethyl ester

ethyl 2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

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Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Customs

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.