Basic information
- CAS
23563-75-9- Standard SMILES
O=S(=O)(O)SCCNCCCNc1ccccc1- InChIKey
QFQFUYYLEUQHTP-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3S2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.07588444
Names & identifiers
- Preferred name
- Ethanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)
- IUPAC
- [3-(2-sulfosulfanylethylamino)propylamino]benzene
- English name
- Thiosulfuric acid, S-(2-((3-anilinopropyl)amino)ethyl) ester
- Molecular formula
- C11H18N2O3S2
- Molecular weight
- 290.4
Names & synonyms
23563-75-9S-2-((3-Anilinopropyl)amino)ethyl hydrogen thiosulfateEthanethiol, 2-((3-anilinopropyl)amino)-, hydrogen sulfate (ester)Thiosulfuric acid, S-(2-((3-anilinopropyl)amino)ethyl) esterDTXSID20178159RefChem:340274DTXCID00100650S-{2-[(3-Anilinopropyl)amino]ethyl} hydrogen sulfurothioate2-[(3-Anilinopropyl)amino]ethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[3-(phenylamino)propyl]amino]ethyl] ester
Database identifiers
- CAS
23563-75-9- PubChem CID
- 90169
- DTXSID
DTXSID20178159- Nikkaji
- J43.010B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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