Basic information
- CAS
23563-74-8- Standard SMILES
O=S(=O)(O)SCCNCCNc1ccccc1- InChIKey
MKLXZHHTNGKIQR-UHFFFAOYSA-N- Molecular formula
- C10H16N2O3S2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.06023472
Names & identifiers
- Preferred name
- Ethanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)
- IUPAC
- [2-(2-sulfosulfanylethylamino)ethylamino]benzene
- English name
- 2-[(2-Anilinoethyl)amino]ethanethiol sulfate
- Molecular formula
- C10H16N2O3S2
- Molecular weight
- 276.38
Names & synonyms
23563-74-8S-2-((Anilinoethyl)amino)ethyl hydrogen thiosulfateThiosulfuric acid, S-(2-((2-anilinoethyl)amino)ethyl) esterEthanethiol, 2-((2-anilinoethyl)amino)-, hydrogen sulfate (ester)RefChem:340266DTXSID60946334S-{2-[(2-Anilinoethyl)amino]ethyl} hydrogen sulfurothioate2-[(2-Anilinoethyl)amino]ethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[2-(phenylamino)ethyl]amino]ethyl] ester
Database identifiers
- CAS
23563-74-8- PubChem CID
- 90168
- DTXSID
DTXSID60946334- Nikkaji
- J43.009I
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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