Skip to the beginning of the images gallery

4-Chloro-5，7-dihydrothieno[3，4-d]pyrimidine - ≥95%, high purity , CAS No.53826-89-4

COA

Grade & Purity:

≥95%

Cas Number: 53826-89-4
Molecular Weight: 172.64
PubChem CID: 45789728

In stock

Item Number

C732594

Grouped product items
SKU	Size	Availability	Price
C732594-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$345.90
C732594-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$586.90
C732594-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,715.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thienopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyrimidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyrimidines
Alternative Parents	Halopyrimidines Aryl chlorides Heteroaromatic compounds Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thienopyrimidine - Halopyrimidine - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Dialkylthioether - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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	4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
INCHI	InChI=1S/C6H5ClN2S/c7-6-4-1-10-2-5(4)8-3-9-6/h3H,1-2H2
InChIKey	WYEUXQBLKOGGPZ-UHFFFAOYSA-N
Smiles	C1C2=C(CS1)N=CN=C2Cl
Isomeric SMILES	C1C2=C(CS1)N=CN=C2Cl
Alternate CAS	53826-89-4
PubChem CID	45789728
Molecular Weight	172.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.640 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	171.986 Da
Monoisotopic Mass	171.986 Da
Topological Polar Surface Area	51.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration