1,3-dithiolan-2-ylidene(dimethyl)azanium,bromide 5068-50-8

Details:

Identification and Related Records
【Name】
N-(1,3-dithiolan-2-ylidene)-N-methylmethanaminium
【Iupac name】
1,3-dithiolan-2-ylidene(dimethyl)azanium bromide
【CAS Registry number】
5068-50-8
【Synonyms】
NSC 35004
(1,3-Dithiolan-2-ylidene)dimethylammonium bromide
N-(2-(1,3-Dithiolanylidene))dimethylammonium bromide
Ammonium, (1,3-dithiolan-2-ylidene)dimethyl-, bromide
AMMONIUM, DIMETHYL(2-(1,3-DITHIOLANYLIDENE))-, BROMIDE
5068-50-8
N-[2-(1,3-Dithiolanylidene)]dimethylammonium bromide
AC1L2HQN
NSC35004
WLN: T5SYSTJ BUK1&1 &E
NSC-35004
Ammonium,3-dithiolanylidene)]-, bromide
LS-17717
1,3-dithiolan-2-ylidene(dimethyl)azanium bromide
Ammonium,3-dithiolan-2-ylidene)dimethyl-, bromide
Methanaminium,3-dithiolan-2-ylidene-N-methyl-, bromide
Methanaminium, N-1,3-dithiolan-2-ylidene-N-methyl-, bromide
Methanaminium, N-1,3-dithiolan-2-ylidene-N-methyl-, bromide (9CI)
【Molecular Formula】
C5H10NS2 (Products with the same molecular formula)
【Molecular Weight】
228.1736
【Inchi】
InChI=1S/C5H10NS2.BrH/c1-6(2)5-7-3-4-8-5;/h3-4H2,1-2H3;1H/q+1;/p-1
【InChIKey】
UWCFVQKFFCBSNE-UHFFFAOYSA-M
【Canonical SMILES】
C[N+](=C1SCCS1)C.[Br-]
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:228.1736 [g/mol]
Molecular Formula:C5H10BrNS2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:226.943803
MonoIsotopic Mass:226.943803
Topological Polar Surface Area:53.6
Heavy Atom Count:9
Formal Charge:0
Complexity:108
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2