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N-Benzhydrylthiophene-2-carboxamide - ≥95%, high purity , CAS No.313969-31-2

COA

Grade & Purity:

≥95%

Cas Number: 313969-31-2
Molecular Weight: 293.4
PubChem CID: 2843282

In stock

Item Number

N691825

Grouped product items
SKU	Size	Availability	Price	Qty
N691825-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$344.90
N691825-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$688.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Thiophene carboxamides 2-heteroaryl carboxamides Heteroaromatic compounds Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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	N-benzhydrylthiophene-2-carboxamide
INCHI	InChI=1S/C18H15NOS/c20-18(16-12-7-13-21-16)19-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,19,20)
InChIKey	OQOZVLBAMUXQJI-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=CS3
Isomeric SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC=CS3
PubChem CID	2843282
Molecular Weight	293.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	293.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	293.087 Da
Monoisotopic Mass	293.087 Da
Topological Polar Surface Area	57.300 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	316.000
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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