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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 88821Generated: October 23, 2026

Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-, hydrogen thiosulfate

2-[4-(p-Methoxyphenyl)butylamino]ethanethiol sulfate · Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-, hydrogen thiosulfate · Thiosulfuric acid hydrogen S-[2-[[4-(p-methoxyphenyl)butyl]amino]ethyl] ester · Thiosulfuric acid (H2S2O3), S-[2-[[4-(4-methoxyphenyl)butyl]amino]ethyl] ester

https://huagongshe.com/en/chemical/88821

Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-, hydrogen thiosulfate molecular structure

Identifiers & Physical Properties

CAS No.21208-80-0
Molecular formulaC13H21NO4S2
Average molar mass319.4 g/mol
Monoisotopic mass319.09120015 g/mol
SMILESCOc1ccc(CCCCNCCSS(=O)(=O)O)cc1
InChIKeyGVAQGXFHYGHMRN-UHFFFAOYSA-N
PubChem CID88821
DTXSIDDTXSID40943548

Chemical & Physical Properties

XLogP-0.5
Topological polar surface area109
Hydrogen bond donors2
Hydrogen bond acceptors6
Rotatable bonds10
Heavy atoms20
Formal charge0
Complexity335
Density1.260±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (acidity coefficient)-4.407±0.30(predicted)
EWG's Food Scores1