Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride
Basic information
- CAS
22907-49-9- Standard SMILES
CCOC(=O)C(SCC[NH3+])(SCC[NH3+])C(=O)OCC.[Cl-].[Cl-]- InChIKey
CXIJSNPYXKMAPK-UHFFFAOYSA-N- Molecular formula
- C11H24Cl2N2O4S2
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 382.055455
Names & identifiers
- Preferred name
- Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride
- IUPAC
- 2-[2-(2-azaniumylethylsulfanyl)-1,3-diethoxy-1,3-dioxopropan-2-yl]sulfanylethylazanium dichloride
Names & synonyms
Diethyl bis(2-aminoethylthio)malonate dihydrochloride22907-49-9MALONIC ACID, BIS((2-AMINOETHYL)THIO)-, DIETHYL ESTER, DIHYDROCHLORIDERefChem:351840
Database identifiers
- CAS
22907-49-9- PubChem CID
- 31565
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…