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Quinoline-4-thiol - ≥97%, high purity , CAS No.51812-96-5

COA

Grade & Purity:

≥97%

Cas Number: 51812-96-5
Molecular Weight: 161.23
PubChem CID: 5252821

In stock

Item Number

Q709534

Grouped product items
SKU	Size	Availability	Price	Qty
Q709534-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,309.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Hydroquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolines
Alternative Parents	Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
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	1H-quinoline-4-thione
INCHI	InChI=1S/C9H7NS/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChIKey	ROYCCMJSURLMLI-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=S)C=CN2
Isomeric SMILES	C1=CC=C2C(=C1)C(=S)C=CN2
PubChem CID	5252821
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	1.200
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	44.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	198.000
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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