3-(Methylsulfonyl)-1,2,4-triazine

Name: 3-(Methylsulfonyl)-1,2,4-triazine
Brand: ChemScene
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CAS No. 105783-77-5
Cat. No. CS-0527172
Molecule weight159.17
Purity≥96%
MDL No.MFCD14702385

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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3-(Methylsulfonyl)-1,2,4-triazine|CS-0527172

Structure of 105783-77-5

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General Information

CAS No. 105783-77-5
Cat. No. CS-0527172
Purity ≥96%
MDL No. MFCD14702385
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₅N₃O₂S
Molecular Weight 159.17
Synonym(s) 3-methysulphonyl-1,2,4-triazine
SMILES O=S(C1=NC=CN=N1)(C)=O

Description

3-(Methylsulfonyl)-1,2,4-triazine is a bench-stable, electron-deficient heterocycle featuring a sulfone group that enhances polarity and metabolic stability. This triazine scaffold integrates readily into pharmaceutical intermediates, enabling efficient coupling in late-stage functionalization. Its high reactivity toward nucleophiles facilitates the construction of complex molecular architectures under mild conditions.

Application

3-(Methylsulfonyl)-1,2,4-triazine serves as a versatile electrophilic building block in synthetic organic chemistry, enabling efficient C–H functionalization and heterocyclic scaffold elaboration. Its methylsulfonyl group enhances solubility and stability while facilitating selective transformations under mild conditions. The triazine core provides a rigid, electron-deficient platform ideal for nucleophilic substitution reactions, making it valuable in the construction of bioactive molecules and pharmaceutical intermediates.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 72.81
LogP -0.7249
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazine compounds

Key Words

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3-(Methylsulfonyl)-1,2,4-triazine

CAS No. 105783-77-5

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