2,4-Dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide

Name: 2,4-Dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide
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CAS No. 1187830-50-7
Cat. No. CS-0155186
Molecule weight253.11
Purity≥98%
MDL No.MFCD12963841

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2,4-Dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide|CS-0155186

Structure of 1187830-50-7

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General Information

CAS No. 1187830-50-7
Cat. No. CS-0155186
Purity ≥98%
MDL No. MFCD12963841
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆Cl₂N₂O₂S
Molecular Weight 253.11
Synonym(s) 2,4-Dichloro-7,8-dihydro-5H-S,S-di-oxoisothiopyrano[4,3-d]pyrimidine
SMILES C1CS(=O)(=O)CC2=C(Cl)N=C(Cl)N=C12

Description

This thiopyranopyrimidine dioxide features a fused heterocyclic core with dual chlorine substituents and a sulfone group, delivering enhanced electron-withdrawing character and metabolic stability. The scaffold integrates readily into bioactive molecule design, offering robustness under standard bench conditions.

Application

2,4-Dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its electron-deficient pyrimidine core facilitates nucleophilic substitution reactions, while the sulfone moiety enhances metabolic stability and modulates solubility. The molecule exhibits excellent bench stability and compatibility with standard coupling conditions, enabling efficient construction of complex scaffolds in multistep syntheses.

Safety Information

Download SDS

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-P362-P405-P501

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Computational Chemistry Data

TPSA 59.92
LogP 1.2543
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2,4-Dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide

CAS No. 1187830-50-7

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