Basic information
- CAS
1000-68-6- Standard SMILES
CNCCSS(=O)(=O)O- InChIKey
FLHDCEZDRGEYQL-UHFFFAOYSA-N- Molecular formula
- C3H9NO3S2
- Average molar mass
- 171.2 g/mol
- Monoisotopic mass
- 171.00238515
Names & identifiers
- Preferred name
- Thiosulfuric acid (H2S2O3), S-(2-(methylamino)ethyl) ester
- IUPAC
- 1-(methylamino)-2-sulfosulfanylethane
- English name
- Thiosulfuric acid hydrogen S-[2-(methylamino)ethyl] ester
- Molecular weight
- 0
Names & synonyms
1000-68-6RefChem:1100040Thiosulfuric acid (H2S2O3), S-(2-(methylamino)ethyl) ester1-(methylamino)-2-sulfosulfanylethane2-Methylaminoethanethiol hydrogen sulfate (ester)BRN 2241987Thiosulfuric acid hydrogen S-[2-(methylamino)ethyl] esters-[2-(methylamino)ethyl] hydrogen sulfurothioateEthanethiol, 2-methylamino-, hydrogen sulfate (ester)SCHEMBL15510640DTXSID70905154
Database identifiers
- CAS
1000-68-6- PubChem CID
- 70472
- DTXSID
DTXSID70905154- Nikkaji
- J49.767C
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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