Home Sulfos 6-(Triethylammonium)hexyl Methanethiosulfonate Bromide

6-(Triethylammonium)hexyl Methanethiosulfonate Bromide

CAS No.:
386229-78-3
Catalog Number:
AG007910
Molecular Formula:
C13H30BrNO2S2
Molecular Weight:
376.4168
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Product Description
Catalog Number:
AG007910
Chemical Name:
6-(Triethylammonium)hexyl Methanethiosulfonate Bromide
CAS Number:
386229-78-3
Molecular Formula:
C13H30BrNO2S2
Molecular Weight:
376.4168
MDL Number:
MFCD01320469
IUPAC Name:
triethyl(6-methylsulfonylsulfanylhexyl)azanium;bromide
InChI:
InChI=1S/C13H30NO2S2.BrH/c1-5-14(6-2,7-3)12-10-8-9-11-13-17-18(4,15)16;/h5-13H2,1-4H3;1H/q+1;/p-1
InChI Key:
NMTKONNSRKDPBO-UHFFFAOYSA-M
SMILES:
CC[N+](CCCCCCSS(=O)(=O)C)(CC)CC.[Br-]
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.412g/mol
Monoisotopic Mass:
375.09g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties