2-(Methylthio)-3-(3-sulphonatopropyl)benzothiazolium
3-(2-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Also Known As: Benzothiazolium, 2-(methylthio)-3-(3-sulfopropyl)-, inner salt|EINECS 263-953-3|2-(Methylthio)-3-(3-sulphonatopropyl)benzothiazolium|NCGC00245453-01|BAS 00009464|3-(2-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate|2-METHYLTHIO-3-SULFOPROPYL-BENZOTHIAZOLE-BETAINE|3-(2-(methylthio)benzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate|2-(methylsulfanyl)-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium|2-(Methylthio)-3-(3-Sulfopropyl)-Benzothiazolium Inner Salt|3-(2-methylthiobenzothiazol-3-yl)propanesulfonic acid|2-Methylthio-3-(3-sulfopropyl)-benzothiazolium betaine|F0037-4059|2- Methylthio- 3- (3- sulfopropyl) benzothiazolium betaine|4-(2-OXO-1,3-BENZOXAZOL-3(2H)-YL)BUTANOICACID|2-(Methylthio)-3-(3-sulfopropyl)benzothiazolium, hydroxide, inner salt|Benzothiazolium, 2-(methylthio)-3-(3-sulfopropyl)-, hydroxide, inner salt|2-(methylsulfanyl)-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium|3-[[2-(Methylthio)benzothiazol-3-ium]-3-yl]propane-1-sulfonate|3-[2-(Methylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate|3-[2-(methylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate|3-[2-(Methylthio)-1-thia-3-azonia-1H-indene-3-yl]propane-1-sulfonate|263-953-3
| Molecular Formula | C11H13NO3S3 |
|---|---|
| Molecular Weight | 303.00577 g/mol |
| LogP | 1.85 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.00577 |
| Heavy Atoms | 18 |
| Complexity | 648.6 |
Chemical Identifiers
| CAS Number | 63149-05-3 |
|---|---|
| SMILES | CSC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-] |
Product Overview
2-(Methylthio)-3-(3-sulphonatopropyl)benzothiazolium (CAS 63149-05-3), with molecular formula C11H13NO3S3 and molecular weight 303.00577 g/mol. IUPAC: 3-(2-methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate.
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