3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione

Name: 3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione
Brand: ChemScene
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CAS No. 1360105-53-8
Cat. No. CS-0375277
Molecule weight229.30
Purity≥96%
MDL No.None

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3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione|CS-0375277

Structure of 1360105-53-8

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General Information

CAS No. 1360105-53-8
Cat. No. CS-0375277
Purity ≥96%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₅N₃O₂S
Molecular Weight 229.30
Synonym(s) 3-tert-butyl-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione
SMILES O=C(N1C(C)(C)C)NC(SCC)=NC1=O

Description

This triazine-dione derivative features a tert-butyl group at C3 and an ethylthio substituent at C6, delivering enhanced solubility and stability under standard conditions. The electron-deficient core enables efficient coupling in synthetic transformations, particularly in heterocyclic scaffold elaboration and medicinal chemistry applications.

Application

3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds through nucleophilic substitution and condensation reactions. Its bench-stable nature, combined with orthogonal functional group tolerance, facilitates straightforward purification and integration into complex molecular architectures. The molecule functions effectively in the synthesis of triazine-based pharmaceutical intermediates and agrochemicals.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P501

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Computational Chemistry Data

TPSA 67.75
LogP 0.7986
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazine compounds

Key Words

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3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione

CAS No. 1360105-53-8

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