4CH-016631

Chemistry

Chemistry

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 34761-09-6, Ethyl 3-amino-1-benzothiophene-2-carboxylate, Ethyl 3-aminobenzothiophene-2-carboxylate, 3-amino-benzo[b]thiophene-2-carboxylic acid ethyl ester, 3-aminobenzo[b]thiophene-2-carboxylic acid ethyl ester, Mfcd00661903

Molecular Formula

C₁₁H₁₁NO₂S

Molecular Weight

221.28 g/mol

InChI Key

XZSFZYVMRZLUOJ-UHFFFAOYSA-N

1 2D Structure

4CH-016631

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-amino-1-benzothiophene-2-carboxylate

2.1.2 InChI

InChI=1S/C11H11NO2S/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3

2.1.3 InChI Key

XZSFZYVMRZLUOJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 34761-09-6

2. Ethyl 3-amino-1-benzothiophene-2-carboxylate

3. Ethyl 3-aminobenzothiophene-2-carboxylate

4. 3-amino-benzo[b]thiophene-2-carboxylic Acid Ethyl Ester

5. 3-aminobenzo[b]thiophene-2-carboxylic Acid Ethyl Ester

6. Mfcd00661903

7. Benzo[b]thiophene-2-carboxylic Acid, 3-amino-, Ethyl Ester

8. Maybridge1_003360

9. Schembl7215848

10. Chembl3219016

11. Hms551a16

12. Dtxsid60352658

13. Zinc145157

14. Albb-021576

15. 3-amino-2-carboethoxy-benzothiophene

16. Bbl006365

17. Ccg-46019

18. Stk350918

19. Akos000281331

20. Bs-4299

21. Ds-3095

22. Db-108805

23. Ethyl3-aminobenzo[b]thiophene-2-carboxylate

24. En300-53562

25. O11771

26. 761a096

27. A874869

28. Sr-01000635748-1

29. F1606-0080

30. Z810541814

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁NO₂S
Molecular Weight	221.28 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	221.05104977 g/mol
Monoisotopic Mass	221.05104977 g/mol
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	247
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Ethyl-3-aminobenzothiophene-2-carboxylate

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CAS Number

34761-09-6

End Use API

About the Company

Nanjing Bold Chemical Co., Ltd. is a high-tech enterprise dedicated to product development, production, s...

Nanjing Bold Chemical Co., Ltd. is a high-tech enterprise dedicated to product development, production, sales and supply chain management in the field of pharmaceutical chemistry. Our products and services mainly include a full range of functional pharmaceutical excipients, APIs, pharmaceutical intermediates, custom synthesis of new chemical substances and other related fields. Designed to provide customers globally with systematic product resources. We are available in various pharmaceutical excipients, APIs and pharmaceutical intermediates that comply with USP, EP, JP, and ChP standards.

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