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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2571237Generated: November 4, 2026

[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate

https://huagongshe.com/en/chemical/2571237

[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.852545-48-3
Molecular formulaC18H22N2O4S
Average molar mass362.4 g/mol
Monoisotopic mass362.13002836 g/mol
SMILESCOCCn1c(C)cc(C(=O)COC(=O)c2cccnc2SC)c1C
InChIKeyJGGLJBZLPIRDPG-UHFFFAOYSA-N
PubChem CID2571237
ChEMBLCHEMBL1715634
DTXSIDDTXSID601326407

Chemical & Physical Properties

XLogP2.3
Topological polar surface area95.7
Hydrogen bond donors0
Hydrogen bond acceptors6
Rotatable bonds9
Heavy atoms25
Formal charge0
Complexity462
Solubility5.2 [ug/mL] (The mean of the results at pH 7.4)