Basic information
- CAS
23563-71-5- Standard SMILES
CCNCCNCCS.Cl.Cl- InChIKey
NKLRNQDNCOXRBL-UHFFFAOYSA-N- Molecular formula
- C6H18Cl2N2S
- Average molar mass
- 221.19 g/mol
- Monoisotopic mass
- 220.0567751
Names & identifiers
- Preferred name
- Ethanethiol, 2-((2-(ethylamino)ethyl)amino)-, dihydrochloride
- IUPAC
- 2-[2-(ethylamino)ethylamino]ethanethiol;dihydrochloride
Names & synonyms
23563-71-5Ethanethiol, 2-((2-(ethylamino)ethyl)amino)-, dihydrochloride2-((2-(Ethylamino)ethyl)amino)ethanethiol dihydrochlorideDTXSID60178158RefChem:340262DTXCID901006492-{[2-(Ethylamino)ethyl]amino}ethane-1-thiol--hydrogen chloride (1/2)
Database identifiers
- CAS
23563-71-5- PubChem CID
- 211752
- DTXSID
DTXSID60178158
Properties
Computed structural properties
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 50.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…