Basic information
- CAS
23545-69-9- Standard SMILES
CC(C)(CS)NCCCN.Cl.Cl- InChIKey
XLPADAMZRYURRP-UHFFFAOYSA-N- Molecular formula
- C7H20Cl2N2S
- Average molar mass
- 235.22 g/mol
- Monoisotopic mass
- 234.0724252
Names & identifiers
- Preferred name
- Propanethiol, 2-((3-aminopropyl)amino)-2-methyl-, dihydrochloride
- IUPAC
- 2-(3-aminopropylamino)-2-methylpropane-1-thiol;dihydrochloride
Names & synonyms
2-((3-Aminopropyl)amino)-2-methylpropanethiol dihydrochloride23545-69-9Propanethiol, 2-((3-aminopropyl)amino)-2-methyl-, dihydrochlorideRefChem:374565DTXSID109463092-[(3-Aminopropyl)amino]-2-methylpropane-1-thiol--hydrogen chloride (1/2)
Database identifiers
- CAS
23545-69-9- PubChem CID
- 90152
- DTXSID
DTXSID10946309
Properties
Computed structural properties
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 83.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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