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2-[[(4-Methoxy-3-methyl-2-pyridinyl)methyl]thio]-6-(1H-pyrrol-1-yl)-1H-benzimidazole - ≥95%, high purity , CAS No.172152-35-1

COA

Grade & Purity:

≥95%

Cas Number: 172152-35-1
Molecular Weight: 350.4374
MDL number: MFCD30609528
PubChem CID: 21460508

In stock

Item Number

M769472

Grouped product items
SKU	Size	Availability	Price	Qty
M769472-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
M769472-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90

Basic Description

Specifications & Purity	≥95%
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.

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	Methylpyridines Alkylarylthioethers Alkyl aryl ethers Substituted pyrroles Benzenoids Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Aryl thioether - Alkyl aryl ether - Methylpyridine - Alkylarylthioether - Pyridine - Substituted pyrrole - Benzenoid - Azole - Imidazole - Pyrrole - Heteroaromatic compound - Ether - Thioether - Sulfenyl compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - 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	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

INCHI	InChI=1S/C19H18N4OS/c1-13-17(20-8-7-18(13)24-2)12-25-19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)
InChIKey	TZNQIYXOVOTIKQ-UHFFFAOYSA-N
Smiles	CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC
Isomeric SMILES	CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC
Molecular Weight	350.4374

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	590.4±60.0°C(Predicted)
Molecular Weight	350.400 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	350.12 Da
Monoisotopic Mass	350.12 Da
Topological Polar Surface Area	81.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	434.000
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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