RefChem:118676

N,N-diethylethanamine;3-[5-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Also Known As: EINECS 263-946-5|Benzothiazolium, 5-methoxy-2-((5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)|hydrogen 5-methoxy-2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-b|Benzothiazolium, 5-methoxy-2-((5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)|Benzothiazolium, 5-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)|3, 3'- Bis(3- sulfopropyl) - 5, 5'- dimethoxythiacyanine betaine triethylammonium salt|Hydrogen 5-methoxy-2-((5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)

Molecular Formula	C29H41N3O8S4
Molecular Weight	687.1777 g/mol
LogP	4.68
Topological Polar Surface Area	140.39 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	14
Exact Mass	687.1777
Heavy Atoms	44
Complexity	1646.7

Chemical Identifiers

CAS Number	63148-97-0
SMILES	CCN(CC)CC.COC1=CC2=C(C=C1)SC(=CC3=[N+](C4=C(S3)C=CC(=C4)OC)CCCS(=O)(=O)[O-])N2CCCS(=O)(=O)O