RefChem:184788

3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate

Also Known As: EINECS 269-424-3|Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 6'-methyl-7'-(3-sulfopropyl)-, inner salt|6'-Methyl-7'-(3-sulphonatopropyl)spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium)|Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 6'-methyl-7'-(3-sulfopropyl)-, hydroxide, inner salt|Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 6'-methyl-7'-(3-sulfopropyl)-, inner salt|6'-Methyl-7'-(3-sulfonatopropyl)spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium]|11'-methyl-12'-(3-sulfonatopropyl)-4',6'-dioxa-10'-thia-12'-azaspiro[cyclohexane-1,5'-tricyclo[7.3.0.03,7]dodecane]-1',3'(7'),8',11'-tetraen-12'-ium|3-(6'-methylspiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f][1,3]benzothiazol[7]ium]-7'-yl)propane-1-sulfonate|3-(6-methylspiro[[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-ium-2,1'-cyclohexane]-7-yl)propane-1-sulfonate|6 -Methyl-7 -(3-sulfonatopropyl)spiro[cyclohexane-1,2 -[1,3]dioxolo[4,5-f]benzothiazol-7-ium]|6'-methyl-7'-(3-sulphonatopropyl)spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium]|Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 6'-methyl-7'-(3-sulfopropyl)-, hydroxide, inner salt

Molecular Formula	C17H21NO5S2
Molecular Weight	383.08612 g/mol
LogP	2.86
Topological Polar Surface Area	79.54 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	383.08612
Heavy Atoms	25
Complexity	912.8

Chemical Identifiers

CAS Number	68239-11-2
SMILES	CC1=[N+](C2=CC3=C(C=C2S1)OC4(O3)CCCCC4)CCCS(=O)(=O)[O-]