Tiametonium

HCID 25280

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Basic information

CAS: 742645-79-0
Standard SMILES: CC[N+](C)(C)CCSCC[N+](C)(C)CC
InChIKey: DNGWFBRFKCEWOW-UHFFFAOYSA-N
Molecular formula: C12H30N2S+2
Average molar mass: 234.45 g/mol
Monoisotopic mass: 234.21297014

Names & identifiers

Preferred name: Tiametonium
IUPAC: ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfanyl]ethyl]-dimethylazanium

Names & synonyms

TiametoniumTiametonium ionTiametonium cationUNII-9CJW94EA129CJW94EA12742645-79-0DTXSID80225274(THIODIETHYLENE)BIS(ETHYLDIMETHYLAMMONIUM)RefChem:189933DTXCID80147765CHEMBL2110709SCHEMBL29385833

Show more names

Q27272359N,N'-[Sulfanediyldi(ethane-2,1-diyl)]bis(N,N-dimethylethan-1-aminium)

Database identifiers

CAS: 742645-79-0
PubChem CID: 25280
DTXSID: DTXSID80225274
ChEMBL: CHEMBL2110709
UNII: 9CJW94EA12
Nikkaji: J238.566J

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 2
Complexity: 149

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