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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 70244Generated: October 23, 2026

Ethanethiol, 2-heptadecylamino-, hydrogen sulfate (ester)

Thiosulfuric acid hydrogen S-[2-(heptadecylamino)ethyl] ester

https://huagongshe.com/en/chemical/70244

Ethanethiol, 2-heptadecylamino-, hydrogen sulfate (ester) molecular structure

Identifiers & Physical Properties

CAS No.929-46-4
Molecular formulaC19H41NO3S2
Average molar mass395.7 g/mol
Monoisotopic mass395.25278617 g/mol
SMILESCCCCCCCCCCCCCCCCCNCCSS(=O)(=O)O
InChIKeyNOAOISNWUKHGKB-UHFFFAOYSA-N
PubChem CID70244
DTXSIDDTXSID70239188

Chemical & Physical Properties

XLogP5.1
Topological polar surface area100
Hydrogen bond donors2
Hydrogen bond acceptors5
Rotatable bonds20
Heavy atoms25
Formal charge0
Complexity356
Density1.032±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (acidity coefficient)-4.405±0.30(predicted)