2-Chloro-5-methylthiopyrimidine

Name: 2-Chloro-5-methylthiopyrimidine
Brand: ChemScene
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CAS No. 115581-36-7
Cat. No. CS-0031678
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Chloro-5-methylthiopyrimidine|CS-0031678

Structure of 115581-36-7

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General Information

CAS No. 115581-36-7
Cat. No. CS-0031678
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₅ClN₂S
Molecular Weight 160.62
Synonym(s) 2-Chloro-5-methylsulfanyl-pyrimidine
SMILES CSC1=CN=C(Cl)N=C1

Description

2-Chloro-5-(methylthio)pyrimidine serves as a pivotal heterocyclic scaffold in medicinal chemistry, integrating a reactive chlorine atom with a sulfur-tethered methyl group. This combination enables selective functionalization in cross-coupling reactions and facilitates the construction of complex pyrimidine-based pharmaceuticals under mild conditions. The molecule exhibits robust stability and favorable solubility profiles in common organic solvents.

Application

2-Chloro-5-(methylthio)pyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds through nucleophilic substitution. The chloro group at C2 facilitates coupling with amines, thiols, and other nucleophiles under mild conditions, while the methylthio substituent provides moderate electron donation and orthogonal reactivity. Its bench stability and compatibility with common reaction protocols make it well-suited for iterative synthesis campaigns in API development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 25.78
LogP 1.8519
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2-Chloro-5-methylthiopyrimidine

CAS No. 115581-36-7

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