Introduction：Basic information about CAS 163927-31-9|(R)-(-)-DBD-Py-NCS [=(R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (R)-(-)-DBD-Py-NCS [=(R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole] |
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| CAS Number | 163927-31-9 | Molecular Weight | 393.418 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 631.2±65.0 °C at 760 mmHg |
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| Molecular Formula | C16H19N5O5S | Melting Point | 157-160ºC |
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| MSDS | / | Flash Point | 335.5±34.3 °C |
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Names
| Name | 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 631.2±65.0 °C at 760 mmHg |
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| Melting Point | 157-160ºC |
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| Molecular Formula | C16H19N5O5S |
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| Molecular Weight | 393.418 |
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| Flash Point | 335.5±34.3 °C |
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| Exact Mass | 393.110687 |
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| PSA | 125.30000 |
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| LogP | -0.95 |
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| Vapour Pressure | 0.0±1.8 mmHg at 25°C |
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| Index of Refraction | 1.656 |
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| InChIKey | YMXYIIXTKUQWPC-SECBINFHSA-N |
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| SMILES | CN(C)S(=O)(=O)c1ccc(N2CCC(N=C=S)C2)c2nonc12 |
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Synonyms
| (R)-4-(N,N-DIMETHYLAMINOSULFONYL)-7-(3-ISOTHIOCYANATO PYRROLIDIN-1-YL)-2,1,3-BENZOXADIAZOLE |
| (R)-(-)-DBD-Py-NCS |
| 2,1,3-Benzoxadiazole-4-sulfonamide, 7-[(3'R)-2,5-dioxo[1,3'-bipyrrolidin]-1'-yl]-N,N-dimethyl- |
| 7-[(3'R)-2,5-Dioxo-1,3'-bipyrrolidin-1'-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide |
| (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)benzofurazan |
| (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole |
| (R)-(-)-1-[7-(Dimethylaminosulfonyl)benzofurazan-4-yl]pyrrolidin-3-yl isothiocyanate |
| MFCD00792583 |
