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(4-(Isopentylthio)phenyl)boronic acid - ≥98%, high purity , CAS No.1217500-91-8

COA

Grade & Purity:

≥98%

Cas Number: 1217500-91-8
Molecular Weight: 224.13
PubChem CID: 46739624

In stock

Item Number

P732784

Grouped product items
SKU	Size	Availability	Price
P732784-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$123.90
P732784-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$208.90
P732784-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$563.90
P732784-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,971.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Boronic acids Sulfenyl compounds Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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	[4-(3-methylbutylsulfanyl)phenyl]boronic acid
INCHI	InChI=1S/C11H17BO2S/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3
InChIKey	YGCYBBGQZWWUBS-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)SCCC(C)C)(O)O
Isomeric SMILES	B(C1=CC=C(C=C1)SCCC(C)C)(O)O
PubChem CID	46739624
Molecular Weight	224.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	224.130 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	224.104 Da
Monoisotopic Mass	224.104 Da
Topological Polar Surface Area	65.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	168.000
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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