AC1L5BVG

zinc;bis(3-[2-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide);tetrachloride

Also Known As: C22H27ClN5O2S.1/2Cl4Zn|C22-H27-Cl-N5-O2-S.1/2Cl4-Zn|Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-((4-((2-chloroethyl)ethylamino)phenyl)azo)-6-ethoxy-, (T-4)-tetrachlorozincate(2-) (2:1)|Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-(2-(4-((2-chloroethyl)ethylamino)phenyl)diazenyl)-6-ethoxy-, (T-4)-tetrachlorozincate(2-) (2:1)|Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[[4-[(2-chloroethyl)ethylamino]phenyl]azo]-6-ethoxy-, (T-4)-tetrachlorozincate(2-) (2:1)|Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[[4-[(2-chloroethyl)ethylamino]phenyl]azo]-6-ethoxy-, (T-4)-tetrachlorozincate(2-), (2:1)|Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[2-[4-[(2-chloroethyl)ethylamino]phenyl]diazenyl]-6-ethoxy-, (T-4)-tetrachlorozincate(2-) (2:1)|Bis(3-(3-amino-3-oxopropyl)-2-((4-((2-chloroethyl)ethylamino)phenyl)azo)-6-ethoxybenzothiazolium) tetrachlorozincate|Bis[3-(3-amino-3-oxopropyl)-2-[[4-[(2-chloroethyl)ethylamino]phenyl]azo]-6-ethoxybenzothiazolium] tetrachlorozincate|zinc 3-[2-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride|zinc,3-[2-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide,tetrachloride

Molecular Formula	C44H54Cl6N10O4S2Zn
Molecular Weight	1124.1194 g/mol
LogP	-2.0997
Topological Polar Surface Area	225.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	16
Rotatable Bonds	22
Exact Mass	1124.1194
Monoisotopic Mass	1124.1194
Heavy Atoms	67
Complexity	590.0

Chemical Identifiers

CAS Number	72245-63-7
SMILES	CCN(CCCl)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.CCN(CCCl)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIKey	CNASTTDDUSQNTN-UHFFFAOYSA-L