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ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate - 97%, high purity , CAS No.95211-67-9

Grade & Purity:

≥97%

Cas Number: 95211-67-9
Molecular Weight: 239.34
PubChem CID: 2793326

In stock

Item Number

E679777

Grouped product items
SKU	Size	Availability	Price
E679777-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$102.90
E679777-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90
E679777-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$422.90
E679777-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,476.90

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Heteroaromatic compounds Carboxylic acid esters 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 - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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

IUPAC Name	ethyl 2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
INCHI	InChI=1S/C12H17NO2S/c1-3-15-12(14)10-9-7(2)5-4-6-8(9)16-11(10)13/h7H,3-6,13H2,1-2H3
InChIKey	HRPRBNMOLCLEDL-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(SC2=C1C(CCC2)C)N
Isomeric SMILES	CCOC(=O)C1=C(SC2=C1C(CCC2)C)N
PubChem CID	2793326
Molecular Weight	239.34

Molecular Weight	239.340 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	239.098 Da
Monoisotopic Mass	239.098 Da
Topological Polar Surface Area	80.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	272.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate - 97%, high purity , CAS No.95211-67-9

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