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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 70237Generated: October 23, 2026

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

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

https://huagongshe.com/en/chemical/70237

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

Identifiers & Physical Properties

CAS No.929-08-8
Molecular formulaC5H13NO3S2
Average molar mass199.3 g/mol
Monoisotopic mass199.03368528 g/mol
SMILESCC(C)NCCSS(=O)(=O)O
InChIKeyHDIYFZDHQUQHER-UHFFFAOYSA-N
PubChem CID70237
DTXSIDDTXSID90239180

Chemical & Physical Properties

XLogP-2.4
Topological polar surface area100
Hydrogen bond donors2
Hydrogen bond acceptors5
Rotatable bonds5
Heavy atoms11
Formal charge0
Complexity182
Density1.305±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (acidity coefficient)-4.405±0.30(predicted)