RefChem:118577

3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Also Known As: EINECS 238-681-3|BAS 00482520|Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner salt|3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate|Anhydro-2-(3-(3-ethyl-5-methoxy-2-benzothiazolinylidene)-2-ethylpropenyl)-3-(3-sulfopropyl)-5-methoxybenzothiazolium hydroxide|Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt|Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5-methoxy-3-(3-sulfopropyl)-, inner salt|Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, hydroxide, inner salt|2-(2-((3-Ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl)but-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium|3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid|Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methoxy-3-(3-sulfopropyl)-, inner salt|2-[2-[(3-ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium|Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5-methoxy-3-(3-sulfopropyl)-, hydroxide, inner salt

Molecular Formula	C26H30N2O5S3
Molecular Weight	546.1317 g/mol
LogP	5.41
Topological Polar Surface Area	82.78 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	546.1317
Heavy Atoms	36
Complexity	1426.8

Chemical Identifiers

CAS Number	14637-08-2
SMILES	CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)OC)CC