Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 6'-methyl-7'-(3-sulfopropyl)-, inner salt

Base Information

• Chemical Name: Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 6'-methyl-7'-(3-sulfopropyl)-, inner salt
• CAS No.: 68239-11-2
• Molecular Formula: C17H21NO5S2
• Molecular Weight: 383.4823
• European Community (EC) Number: 269-424-3
• DSSTox Substance ID: DTXSID2071314
• Wikidata: Q81998920
• Mol file: 68239-11-2.mol

Synonyms:EINECS 269-424-3;68239-11-2;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)-, inner salt;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-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;DTXSID2071314;C17-H21-N-O5-S2

Chemical Property of Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-f]benzothiazolium], 6'-methyl-7'-(3-sulfopropyl)-, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 383.08611512
• Heavy Atom Count: 25
• Complexity: 573

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=CC3=C(C=C2S1)OC4(O3)CCCCC4)CCCS(=O)(=O)[O-]