UTH-31 cation
Basic information
- CAS
47510-96-3- Standard SMILES
C[n+]1ccc(SCCCCCCCCCCSc2cc[n+](C)cc2)cc1- InChIKey
AVOPZAJVYJCWBI-UHFFFAOYSA-N- Molecular formula
- C22H34N2S2+2
- Average molar mass
- 390.7 g/mol
- Monoisotopic mass
- 390.21634144
Names & identifiers
- Preferred name
- UTH-31 cation
- IUPAC
- 1-methyl-4-[10-(1-methylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium
Names & synonyms
UTH-31 cationUTH-31 ionUNII-HC14P4152ZHC14P4152Z47510-96-3Pyridinium, 4,4'-(1,10-decanediylbis(thio))bis(1-methyl-Q272798494,4'-(DECAMETHYLENEDITHIO)BIS(1-METHYLPYRIDINIUM)4,4'-(DECAMETHYLENEDITHIO)BIS(1-METHYLPYRIDINIUM) [WHO-DD]
Database identifiers
- CAS
47510-96-3- PubChem CID
- 19614
- UNII
- HC14P4152Z
- Nikkaji
- J238.530I
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 2
- Complexity
- 292
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Compound notes
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