Basic information
- CAS
23545-56-4- Standard SMILES
Cl.NCCCNCCSS(=O)(=O)O- InChIKey
XXXGPFXKOBROPZ-UHFFFAOYSA-N- Molecular formula
- C5H15ClN2O3S2
- Average molar mass
- 250.8 g/mol
- Monoisotopic mass
- 250.0212624
Names & identifiers
- Preferred name
- Ethanethiol, 2-((3-aminopropyl)amino)-, hydrogen sulfate (ester), hydrochloride
- IUPAC
- 1-amino-3-(2-sulfosulfanylethylamino)propane;hydrochloride
Names & synonyms
23545-56-4S-2-((3-Aminopropyl)amino)ethyl hydrogen thiosulfate hydrochlorideEthanethiol, 2-((3-aminopropyl)amino)-, hydrogen sulfate (ester), hydrochlorideThiosulfuric acid, S-(2-((3-aminopropyl)amino)ethyl) ester, hydrochlorideRefChem:340273DTXSID50946303S-{2-[(3-Aminopropyl)amino]ethyl} hydrogen sulfurothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
23545-56-4- PubChem CID
- 90143
- DTXSID
DTXSID50946303
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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