Di(2-pyridyl) thionocarbonate - CAS 96989-50-3
Catalog: |
BB042024 |
Product Name: |
Di(2-pyridyl) thionocarbonate |
CAS: |
96989-50-3 |
Synonyms: |
dipyridin-2-yloxymethanethione |
IUPAC Name: | dipyridin-2-yloxymethanethione |
Description: | Di(2-pyridyl) thionocarbonate (CAS# 96989-50-3) is a useful research chemical. |
Molecular Weight: | 232.26 |
Molecular Formula: | C11H8N2O2S |
Canonical SMILES: | C1=CC=NC(=C1)OC(=S)OC2=CC=CC=N2 |
InChI: | InChI=1S/C11H8N2O2S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H |
InChI Key: | IKYOVSVBLHGFMA-UHFFFAOYSA-N |
Boiling Point: | 358.7 °C at 760 mmHg |
Melting Point: | 96-99 °C |
Purity: | > 97.0 % (N) |
Density: | 1.34 g/cm3 |
Appearance: | Yellow to brown crystalline powder |
Storage: | -20 °C |
MDL: | MFCD00074870 |
LogP: | 2.21930 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021167074-A1 | Compound containing photoreactive group, polymer and retardation film | 20200221 |
WO-2021116080-A1 | Aromatic isothiocyanates | 20191210 |
EP-3812767-A1 | Method for preparing analysis sample, analysis method, and kit for preparing analysis sample | 20191021 |
JP-2021067524-A | Analytical sample preparation method, analytical method and analytical sample preparation kit | 20191021 |
US-2021164989-A1 | Method for preparing analysis sample, analysis method, and kit for preparing analysis sample | 20191021 |
PMID | Publication Date | Title | Journal |
20013953 | 20100101 | Combining [13C6]-phenylisothiocyanate and the Edman degradation reaction: a possible breakthrough for absolute quantitative proteomics together with protein identification | Rapid communications in mass spectrometry : RCM |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.03064868 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Pyridines
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