N,N-Dimethyl-1,3-dithiolan-2-iminium bromide

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Basic information

CAS: 5068-50-8
Standard SMILES: C[N+](C)=C1SCCS1.[Br-]
InChIKey: UWCFVQKFFCBSNE-UHFFFAOYSA-M
Molecular formula: C5H10BrNS2
Average molar mass: 228.2 g/mol
Monoisotopic mass: 226.9438

Names & identifiers

Preferred name: N,N-Dimethyl-1,3-dithiolan-2-iminium bromide
IUPAC: 1,3-dithiolan-2-ylidene(dimethyl)azanium bromide

Names & synonyms

5068-50-8DTXSID20964913N,N-Dimethyl-1,3-dithiolan-2-iminium bromideRefChem:1090498DTXCID601392595(1,3-Dithiolan-2-ylidene)dimethylammonium bromideN-(2-(1,3-Dithiolanylidene))dimethylammonium bromideNSC 35004N-[2-(1,3-Dithiolanylidene)]dimethylammonium bromideAmmonium, (1,3-dithiolan-2-ylidene)dimethyl-, bromideMethanaminium, N-1,3-dithiolan-2-ylidene-N-methyl-, bromideAMMONIUM, DIMETHYL(2-(1,3-DITHIOLANYLIDENE))-, BROMIDE

Show more names

NSC35004WLN: T5SYSTJ BUK1&1 &ENSC-35004Ammonium,3-dithiolanylidene)]-, bromideAmmonium,3-dithiolan-2-ylidene)dimethyl-, bromideMethanaminium,3-dithiolan-2-ylidene-N-methyl-, bromide

Database identifiers

CAS: 5068-50-8
PubChem CID: 21154
DTXSID: DTXSID20964913

Properties

Computed structural properties

Topological polar surface area: 53.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 108

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Compound notes

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