Basic information
- CAS
31007-47-3- Standard SMILES
CC[NH+](CC)C1CSSC1.O=C([O-])C(=O)O- InChIKey
XPNLTOQYXULSBD-UHFFFAOYSA-N- Molecular formula
- C9H17NO4S2
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.05990037
Names & identifiers
- Preferred name
- 1,2-Dithiolan-4-amine, N,N-diethyl-, oxalate (1:1)
- IUPAC
- dithiolan-4-yl(diethyl)azanium;2-hydroxy-2-oxoacetate
Names & synonyms
4-(Diethylamino)-1,2-dithiolane oxalate31007-47-31,2-DITHIOLAN-4-AMINE, N,N-DIETHYL-, OXALATE (1:1)DTXSID50184985RefChem:216195DTXCID90107476N,N-Diethyl-1,2-dithiolan-4-aminium hydrogen ethanedioate
Database identifiers
- CAS
31007-47-3- PubChem CID
- 35704
- DTXSID
DTXSID50184985
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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