Basic information
- CAS
23545-60-0- Standard SMILES
CC(C)(CSS(=O)(=O)O)NCCCN.Cl- InChIKey
YZKJTIRCAZBIGM-UHFFFAOYSA-N- Molecular formula
- C7H19ClN2O3S2
- Average molar mass
- 278.8 g/mol
- Monoisotopic mass
- 278.0525625
Names & identifiers
- Preferred name
- Propanethiol, 2-((3-aminopropyl)amino)-2-methyl-, hydrogen sulfate (ester), hydrochloride
- IUPAC
- 2-(3-aminopropylamino)-2-methyl-1-sulfosulfanylpropane;hydrochloride
Names & synonyms
23545-60-0S-(2-((3-Aminopropyl)amino)-2-methyl) hydrogen thiosulfate hydrochloridePropanethiol, 2-((3-aminopropyl)amino)-2-methyl-, hydrogen sulfate (ester), hydrochlorideRefChem:374566DTXSID30946306S-{2-[(3-Aminopropyl)amino]-2-methylpropyl} hydrogen sulfurothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
23545-60-0- PubChem CID
- 90149
- DTXSID
DTXSID30946306
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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