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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178698658Generated: October 31, 2026

5-[[1-(4-Chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione · 4,6(1H,5H)-Pyrimidinedione, 5-[[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]dihydro-1,3-dimethyl-2-thioxo-

https://huagongshe.com/en/chemical/178698658

5-[[1-(4-Chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione molecular structure

Identifiers & Physical Properties

CAS No.347385-74-4
Molecular formulaC19H18ClN3O2S
Average molar mass387.9 g/mol
Monoisotopic mass387.0808257 g/mol
SMILESCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1
InChIKeyHXUVCFPMTQSBLR-UHFFFAOYSA-N
PubChem CID1000563

Chemical & Physical Properties

XLogP3.8
Topological polar surface area77.6
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds2
Heavy atoms26
Formal charge0
Complexity619
Boiling point515.1±60.0 °C(Predicted)
Density1.31±0.1 g/cm3(Predicted)
pKa (acidity coefficient)-2.40±0.20(Predicted)