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2-Amino-5-n-propylsulfonylbenzimidazole - ≥98%, high purity , CAS No.80983-34-2

COA

Grade & Purity:

≥98%

Cas Number: 80983-34-2
Molecular Weight: 239.3
MDL number: MFCD01075656
PubChem CID: 88125

In stock

Item Number

A770435

Grouped product items
SKU	Size	Availability	Price	Qty
A770435-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$136.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Benzenoids Aminoimidazoles Sulfones Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Aminoimidazole - Benzenoid - Azole - Imidazole - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors	organic sulfide
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	6-propylsulfonyl-1H-benzimidazol-2-amine
INCHI	InChI=1S/C10H13N3O2S/c1-2-5-16(14,15)7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)
InChIKey	WTPBIYSMFKUQKY-UHFFFAOYSA-N
Smiles	CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)N
Isomeric SMILES	CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)N
PubChem CID	88125
Molecular Weight	239.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	239.300 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	239.073 Da
Monoisotopic Mass	239.073 Da
Topological Polar Surface Area	97.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	338.000
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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