MTSET

Catalog	DGS91774253
CAS	91774-25-3
Structure
Synonyms	[2-(Trimethylammonium)ethyl] methane thiosulfonate bromide
IUPAC Name	trimethyl(2-methylsulfonylsulfanylethyl)azanium;bromide
Molecular Weight	278.24
Molecular Formula	C6H16BrNO2S2
InChI	InChI=1S/C6H16NO2S2.BrH/c1-7(2,3)5-6-10-11(4,8)9;/h5-6H2,1-4H3;1H/q+1;/p-1
InChI Key	DZWJBKUVHJSHAR-UHFFFAOYSA-M
Melting Point	159-163 °C
Appearance	Solid
Complexity	198
Exact Mass	276.98058
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[N+](C)(C)CCSS(=O)(=O)C.[Br-]
Monoisotopic Mass	276.98058
Rotatable Bond Count	4
Topological Polar Surface Area	67.8 Ų