AC1L4RHJ

[3-oxo-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate

Also Known As: p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate|S-2-(2-(p-Ethoxycarbonylanilino)ethylamino)ethyl hydrogenthiosulfate|Benzoic acid, p-((2-((2-mercaptoethyl)amino)ethyl)amino)-, ethyl ester, hydrogen sulfate (ester)|3-oxo-3-[4-({2-[(2-sulfanylethyl)amino]ethyl}amino)phenyl]propyl hydrogen sulfate|[3-oxo-3-[4-[2-(2-sulfanylethylamino)ethylamino]phenyl]propyl] hydrogen sulfate|s-(2-{[3-(phenylamino)propyl]amino}ethyl) hydrogen sulfurothioate|Benzoic acid,4-[[2-[[2-(sulfothio)ethyl]amino]ethyl]amino]-, 1-ethyl ester

Molecular Formula	C13H20N2O5S2
Molecular Weight	348.08136 g/mol
LogP	-2.0
Topological Polar Surface Area	114.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	348.08136
Monoisotopic Mass	348.08136
Heavy Atoms	22
Complexity	417.0

Chemical Identifiers

CAS Number	26957-80-2
SMILES	C1=CC(=CC=C1C(=O)CCOS(=O)(=O)O)NCCNCCS
InChIKey	XDJAPCFNIUEZDN-UHFFFAOYSA-N