Introduction:Basic information about CAS 440102-72-7|1,3,3-Trimethyl-2-[(E)-2-{(3E)-2-[(1-phenyl-1H-tetrazol-5-yl)sulf anyl]-3-[(2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3,3-Trimethyl-2-[(E)-2-{(3E)-2-[(1-phenyl-1H-tetrazol-5-yl)sulf anyl]-3-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)e thylidene]-1-cyclohexen-1-yl}vinyl]-3H-indolium chloride |
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| CAS Number | 440102-72-7 | Molecular Weight | 661.30100 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C39H41ClN6S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 1,3,3-Trimethyl-2-[(E)-2-{(3E)-2-[(1-phenyl-1H-tetrazol-5-yl)sulf anyl]-3-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)e thylidene]-1-cyclohexen-1-yl}vinyl]-3H-indolium chloride |
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Chemical & Physical Properties
| Molecular Formula | C39H41ClN6S |
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| Molecular Weight | 661.30100 |
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| Exact Mass | 660.28000 |
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| PSA | 75.15000 |
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| LogP | 5.72050 |
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| InChIKey | JTALMCTWCLULIB-UHFFFAOYSA-M |
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| SMILES | CN1C(=CC=C2CCCC(C=CC3=[N+](C)c4ccccc4C3(C)C)=C2Sc2nnnn2-c2ccccc2)C(C)(C)c2ccccc21.[Cl-] |
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