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Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate - 95%, high purity , CAS No.4651-93-8

COA

Grade & Purity:

≥95%

Cas Number: 4651-93-8
Molecular Weight: 185.25
PubChem CID: 819623
PubChem SID: 504760219

In stock

Item Number

M589196

Grouped product items
SKU	Size	Availability	Price	Qty
M589196-5g	5g	2	$26.90
M589196-25g	25g	2	$117.90

Basic Description

Synonyms	FS-1354 \| STK346607 \| BBL007189 \| MFCD00461707 \| SCHEMBL1063435 \| DTXSID50356105 \| methyl2-amino-4,5-dimethylthiophene-3-carboxylate \| Z56886480 \| 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester \| 2-Amino-4,5-dimethylthiophene-3-carboxylic a
Specifications & Purity	≥95%
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 heteromonocyclic 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 heteromonocyclic 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

Names and Identifiers

Pubchem Sid	504760219
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760219
IUPAC Name	methyl 2-amino-4,5-dimethylthiophene-3-carboxylate
INCHI	InChI=1S/C8H11NO2S/c1-4-5(2)12-7(9)6(4)8(10)11-3/h9H2,1-3H3
InChIKey	MZBOBUPJGXDOFT-UHFFFAOYSA-N
Smiles	CC1=C(SC(=C1C(=O)OC)N)C
Isomeric SMILES	CC1=C(SC(=C1C(=O)OC)N)C
Molecular Weight	185.25
Reaxy-Rn	4974223
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4974223&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
J2319665	Certificate of Analysis	Sep 21, 2023	M589196
J2319667	Certificate of Analysis	Sep 21, 2023	M589196
J2319668	Certificate of Analysis	Sep 21, 2023	M589196
J2319666	Certificate of Analysis	Sep 21, 2023	M589196

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	185.250 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	185.051 Da
Monoisotopic Mass	185.051 Da
Topological Polar Surface Area	80.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186.000
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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