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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5259063Generated: November 3, 2026

2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide

https://huagongshe.com/en/chemical/5259063

2-(4-chloro-3-methylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide molecular structure

Identifiers & Physical Properties

CAS No.6946-77-6
Molecular formulaC16H13Br2ClN2O3S
Average molar mass508.6 g/mol
Monoisotopic mass505.87022 g/mol
SMILESCc1cc(OCC(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)ccc1Cl
InChIKeyWQICRNZXTNGHAX-UHFFFAOYSA-N
PubChem CID5259063
DTXSIDDTXSID00413858

Chemical & Physical Properties

XLogP5.6
Topological polar surface area103
Hydrogen bond donors3
Hydrogen bond acceptors4
Rotatable bonds4
Heavy atoms25
Formal charge0
Complexity476