RefChem:77058

(2-hydroxy-3-octylsulfanylpropyl)-trimethylazanium;4-methylbenzenesulfonate

Also Known As: (2-Hydroxy-4-thiadodecyl)trimethylammonium p-toluenesulfonate|1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-(octylthio)-, 4-methylbenzenesulfonate (1:1)|1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-3-(octylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)|2-hydroxy-n,n,n-trimethyl-3-(octylsulfanyl)propan-1-aminium4-methylbenzenesulfonate|(2-hydroxy-3-octylsulfanylpropyl)-trimethylazanium; 4-methylbenzenesulfonate|2-Hydroxy-N,N,N-trimethyl-3-(octylsulfanyl)propan-1-aminium 4-methylbenzene-1-sulfonate|Ammonium, (2-hydroxy-3-(octylthio)propyl)trimethyl-, p-toluenesulfonate (salt)|Ammonium, [2-hydroxy-3-(octylthio)propyl]trimethyl-, p-toluenesulfonate (salt)

Molecular Formula	C21H39NO4S2
Molecular Weight	433.23206 g/mol
LogP	4.05
Topological Polar Surface Area	77.43 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	12
Exact Mass	433.23206
Heavy Atoms	28
Complexity	610.3

Chemical Identifiers

CAS Number	3901-30-2
SMILES	CCCCCCCCSCC(C[N+](C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]