Basic information
- Standard SMILES
CCNCCSS(=O)(=O)O- InChIKey
ZVRYGOWMYYDRID-UHFFFAOYSA-N- Molecular formula
- C4H11NO3S2
- Average molar mass
- 185.3 g/mol
- Monoisotopic mass
- 185.01803521
Names & identifiers
- Preferred name
- Ethanethiol, 2-ethylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(ethylamino)-2-sulfosulfanylethane
- English name
- Thiosulfuric acid hydrogen S-[2-(ethylamino)ethyl] ester
- Molecular formula
- C4H11NO3S2
- Molecular weight
- 185.27
Names & synonyms
1002-08-02-Ethylaminoethanethiol hydrogen sulfate (ester)BRN 2354509Ethanethiol, 2-ethylamino-, hydrogen sulfate (ester)RefChem:3405531-(ethylamino)-2-sulfosulfanylethaneThiosulfuric acid hydrogen S-[2-(ethylamino)ethyl] esters-[2-(ethylamino)ethyl] hydrogen sulfurothioateDTXSID30905251
Database identifiers
- CAS
1002-08-0- PubChem CID
- 70478
- DTXSID
DTXSID30905251- Nikkaji
- J49.745B
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Density
- 1.363 · 1.363±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.406 · -4.406±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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