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2-Hydroxy-5-(methylthio)benzaldehyde - ≥97%, high purity , CAS No.67868-84-2

COA

Grade & Purity:

≥97%

Cas Number: 67868-84-2
Molecular Weight: 168.21
PubChem CID: 12433397

In stock

Item Number

H726822

Grouped product items
SKU	Size	Availability	Price
H726822-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
H726822-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
H726822-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$227.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes
        Level7 Benzaldehydes
        Level8 Hydroxybenzaldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent	Hydroxybenzaldehydes
Alternative Parents	Thiophenol ethers Benzoyl derivatives Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - Aryl thioether - Benzoyl - Thiophenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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	2-hydroxy-5-methylsulfanylbenzaldehyde
INCHI	InChI=1S/C8H8O2S/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
InChIKey	UEFUHPOUXWUJPA-UHFFFAOYSA-N
Smiles	CSC1=CC(=C(C=C1)O)C=O
Isomeric SMILES	CSC1=CC(=C(C=C1)O)C=O
PubChem CID	12433397
Molecular Weight	168.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.210 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	168.025 Da
Monoisotopic Mass	168.025 Da
Topological Polar Surface Area	62.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138.000
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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