2-[2-[(3-ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium structure
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Common Name | 2-[2-[(3-ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium | ||
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| CAS Number | 14637-08-2 | Molecular Weight | 546.72200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C26H30N2O5S3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 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 |
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| Molecular Formula | C26H30N2O5S3 |
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| Molecular Weight | 546.72200 |
| Exact Mass | 546.13200 |
| PSA | 167.05000 |
| LogP | 5.37790 |
| InChIKey | BPVXRCNZOAFWOB-UHFFFAOYSA-N |
| SMILES | CCC(=Cc1sc2ccc(OC)cc2[n+]1CCCS(=O)(=O)[O-])C=C1Sc2ccc(OC)cc2N1CC |