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3-bromo-1H-pyridine-2-thione - 97%, high purity , CAS No.65938-86-5

COA

Grade & Purity:

≥97%

Cas Number: 65938-86-5
Molecular Weight: 190.06
EC Number: 829-009-5
MDL number: MFCD14651478
PubChem CID: 12383434

In stock

Item Number

B634311

Grouped product items
SKU	Size	Availability	Price
B634311-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
B634311-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$74.90
B634311-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$147.90

Basic Description

Synonyms	2(1H)-Pyridinethione, 3-bromo- \| A918164 \| DYSAQUBMKLAXTJ-UHFFFAOYSA-N \| EN300-80846 \| 2-mercapto-3-bromo-pyridine \| 3-Bromopyridine-2(1H)-thione \| MFCD14651478 \| 3-bromo-1,2-dihydropyridine-2-thione \| SY192407 \| BS-29369 \| AKOS008146319 \| 3-Bromo-2-pyrid
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Dihydropyridines
Alternative Parents	Aryl bromides Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dihydropyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiolactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
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	3-bromo-1H-pyridine-2-thione
INCHI	InChI=1S/C5H4BrNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKey	DYSAQUBMKLAXTJ-UHFFFAOYSA-N
Smiles	C1=CNC(=S)C(=C1)Br
Isomeric SMILES	C1=CNC(=S)C(=C1)Br
Alternate CAS	65938-86-5
PubChem CID	12383434
Molecular Weight	190.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.060 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	188.925 Da
Monoisotopic Mass	188.925 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	171.000
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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