Basic information
- CAS
23545-57-5- Standard SMILES
Cl.NCCCCNCCSS(=O)(=O)O- InChIKey
JWBDZOOJFIQRMR-UHFFFAOYSA-N- Molecular formula
- C6H17ClN2O3S2
- Average molar mass
- 264.8 g/mol
- Monoisotopic mass
- 264.0369124
Names & identifiers
- Preferred name
- Ethanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochloride
- IUPAC
- 1-amino-4-(2-sulfosulfanylethylamino)butane;hydrochloride
Names & synonyms
23545-57-5S-2-((4-Aminobutyl)amino)ethyl hydrogen thiosulfate hydrochlorideEthanethiol, 2-((4-aminobutyl)amino)-, hydrogen sulfate (ester), hydrochlorideThiosulfuric acid, S-(2-((4-aminobutyl)amino)ethyl) ester, hydrochlorideRefChem:340301DTXSID10946304S-{2-[(4-Aminobutyl)amino]ethyl} hydrogen sulfurothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
23545-57-5- PubChem CID
- 90145
- DTXSID
DTXSID10946304
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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