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Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate - 98%, high purity , CAS No.108354-78-5

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Methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate - 98%, high purity , CAS No.108354-78-5

COA

Grade & Purity:

≥98%

Cas Number: 108354-78-5
Molecular Weight: 211.28
PubChem CID: 2756552
PubChem SID: 488193021

In stock

Item Number

M573569

Grouped product items
SKU	Size	Availability	Price
M573569-5g	5g	5	$30.90
M573569-25g	25g	4	$100.90
M573569-100g	100g	2	$280.90

Basic Description

Synonyms	108354-78-5 \| methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate \| methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate \| 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester \| 2-Amino-4,5,6,7-tetrahydrobenzo[b]thi
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Aminothiophenes
      - Level5 2-aminothiophenes
        Level6 3,4,5-trisubstituted-2-aminothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Aminothiophenes
Intermediate Tree Nodes	2-aminothiophenes
Direct Parent	3,4,5-trisubstituted-2-aminothiophenes
Alternative Parents	Thiophene carboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Methyl ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Mycolicibacterium smegmatis (8003 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488193021
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193021
IUPAC Name	methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
INCHI	InChI=1S/C10H13NO2S/c1-13-10(12)8-6-4-2-3-5-7(6)14-9(8)11/h2-5,11H2,1H3
InChIKey	DKYYKIHEIOOWRB-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(SC2=C1CCCC2)N
Isomeric SMILES	COC(=O)C1=C(SC2=C1CCCC2)N
Molecular Weight	211.28
Reaxy-Rn	5333017
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5333017&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
D2315600	Certificate of Analysis	Mar 07, 2023	M573569
D2315132	Certificate of Analysis	Mar 07, 2023	M573569
D2315126	Certificate of Analysis	Mar 07, 2023	M573569
D2315162	Certificate of Analysis	Mar 07, 2023	M573569
D2315133	Certificate of Analysis	Mar 07, 2023	M573569
D2315618	Certificate of Analysis	Mar 07, 2023	M573569

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	211.280 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	211.067 Da
Monoisotopic Mass	211.067 Da
Topological Polar Surface Area	80.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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