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Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate - 98%, high purity , CAS No.205873-28-5

COA

Grade & Purity:

≥98%

Cas Number: 205873-28-5
Molecular Weight: 253.27
PubChem CID: 735868

In stock

Item Number

M191968

Grouped product items
SKU	Size	Availability	Price	Qty
M191968-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
M191968-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90

Discover Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate by Aladdin Scientific in 98% for only $28.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	205873-28-5 \| Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate \| methyl 5-methylsulfonyl-1H-indole-2-carboxylate \| methyl 5-(methylsulfonyl)indole-2-carboxylate \| MFCD00216478 \| 1H-Indole-2-carboxylic acid, 5-(methylsulfonyl)-, methyl ester \| C11H11NO4S \| methyl 5-met
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids and derivatives
Alternative Parents	Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Sulfones Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Methyl ester - Sulfonyl - Sulfone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
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

IUPAC Name	methyl 5-methylsulfonyl-1H-indole-2-carboxylate
INCHI	InChI=1S/C11H11NO4S/c1-16-11(13)10-6-7-5-8(17(2,14)15)3-4-9(7)12-10/h3-6,12H,1-2H3
InChIKey	NVOKZHQKGPZQFP-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(N1)C=CC(=C2)S(=O)(=O)C
Isomeric SMILES	COC(=O)C1=CC2=C(N1)C=CC(=C2)S(=O)(=O)C
Molecular Weight	253.27
Reaxy-Rn	9127056
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9127056&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.280 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	253.041 Da
Monoisotopic Mass	253.041 Da
Topological Polar Surface Area	84.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	400.000
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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