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2-Mercapto-5-n-propylpyrimidine - ≥98%, high purity , CAS No.52767-84-7

COA

Grade & Purity:

≥98%

Cas Number: 52767-84-7
Molecular Weight: 154.24
PubChem CID: 12356156

In stock

Item Number

M726723

Grouped product items
SKU	Size	Availability	Price	Qty
M726723-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidinethiones
Alternative Parents	2-Thiopyrimidines Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinethiones. These are compounds containing a pyrimidine ring that bears a thioketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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	5-propyl-1H-pyrimidine-2-thione
INCHI	InChI=1S/C7H10N2S/c1-2-3-6-4-8-7(10)9-5-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKey	YZFGTZRDMRKBBU-UHFFFAOYSA-N
Smiles	CCCC1=CNC(=S)N=C1
Isomeric SMILES	CCCC1=CNC(=S)N=C1
PubChem CID	12356156
Molecular Weight	154.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	154.240 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	154.056 Da
Monoisotopic Mass	154.056 Da
Topological Polar Surface Area	56.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	194.000
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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2-Mercapto-5-n-propylpyrimidine - ≥98%, high purity , CAS No.52767-84-7

Basic Description