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Quinoline-3-thiol - ≥95%, high purity , CAS No.76076-35-2

COA

Grade & Purity:

≥95%

Cas Number: 76076-35-2
Molecular Weight: 161.23
PubChem CID: 21783124

In stock

Item Number

Q730148

Grouped product items
SKU	Size	Availability	Price	Qty
Q730148-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$401.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Quinolines and derivatives
Alternative Parents	Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Thiols Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Arylthiol - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
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	quinoline-3-thiol
INCHI	InChI=1S/C9H7NS/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H
InChIKey	ZPKXXXUAUKOZJA-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=C(C=N2)S
Isomeric SMILES	C1=CC=C2C(=C1)C=C(C=N2)S
PubChem CID	21783124
Molecular Weight	161.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	161.230 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.03 Da
Monoisotopic Mass	161.03 Da
Topological Polar Surface Area	13.900 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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