Skip to the beginning of the images gallery

4-chloro-8-isopropyl-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazine - 97%, high purity , CAS No.1453186-96-3

COA

Grade & Purity:

≥97%

Cas Number: 1453186-96-3
Molecular Weight: 242.73
PubChem CID: 89778687

In stock

Item Number

C629308

Grouped product items
SKU	Size	Availability	Price
C629308-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
C629308-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90
C629308-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
C629308-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90
C629308-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,001.90

Basic Description

Synonyms	1453186-96-3 \| 4-Chloro-8-isopropyl-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazine \| 4-Chloro-8-isopropyl-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine \| 4-chloro-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine \| SCHEMBL15224428 \| MFCD2840493
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolotriazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolotriazines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolotriazines
Alternative Parents	Pyrazolo[1,5-a][1,3,5]triazines Methylthio-s-triazines Alkyl-2-thio-S-triazines Chloro-s-triazines Alkylarylthioethers Aryl chlorides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - Methylthio-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Chloro-s-triazine - Halo-s-triazine - Alkylarylthioether - Aryl chloride - Aryl halide - 1,3,5-triazine - Triazine - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Triazine is a 6-membered ring consisting of three carbon atoms and three nitrogen centers.
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-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine
INCHI	InChI=1S/C9H11ClN4S/c1-5(2)6-4-11-14-7(6)12-9(15-3)13-8(14)10/h4-5H,1-3H3
InChIKey	RRBPEHJNXHJYQN-UHFFFAOYSA-N
Smiles	CC(C)C1=C2N=C(N=C(N2N=C1)Cl)SC
Isomeric SMILES	CC(C)C1=C2N=C(N=C(N2N=C1)Cl)SC
PubChem CID	89778687
Molecular Weight	242.73

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.730 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	242.039 Da
Monoisotopic Mass	242.039 Da
Topological Polar Surface Area	68.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	228.000
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