Basic information
- CAS
31007-49-5- Standard SMILES
CCCC[NH+](CCCC)C1CSSC1.O=C([O-])C(=O)O- InChIKey
KZSMLFSZCXOLTG-UHFFFAOYSA-N- Molecular formula
- C13H25NO4S2
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.12250063
Names & identifiers
- Preferred name
- 1,2-Dithiolan-4-amine, N,N-dibutyl-, oxalate (1:1)
- IUPAC
- dibutyl(dithiolan-4-yl)azanium;2-hydroxy-2-oxoacetate
Names & synonyms
4-(Dibutylamino)-1,2-dithiolane oxalate31007-49-51,2-DITHIOLAN-4-AMINE, N,N-DIBUTYL-, OXALATE (1:1)DTXSID10184986RefChem:216194DTXCID50107477N,N-Dibutyl-1,2-dithiolan-4-aminium hydrogen ethanedioate
Database identifiers
- CAS
31007-49-5- PubChem CID
- 35708
- DTXSID
DTXSID10184986
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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