3-Nitropyridine-2-thiol - CAS 38240-29-8
Catalog: |
BB023596 |
Product Name: |
3-Nitropyridine-2-thiol |
CAS: |
38240-29-8 |
Synonyms: |
3-nitro-1H-pyridine-2-thione |
IUPAC Name: | 3-nitro-1H-pyridine-2-thione |
Description: | 3-Nitropyridine-2-thiol (CAS# 38240-29-8 ) is a useful research chemical. |
Molecular Weight: | 156.16 |
Molecular Formula: | C5H4N2O2S |
Canonical SMILES: | C1=CNC(=S)C(=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C5H4N2O2S/c8-7(9)4-2-1-3-6-5(4)10/h1-3H,(H,6,10) |
InChI Key: | LKNPLDRVWHXGKZ-UHFFFAOYSA-N |
Boiling Point: | 243.6 ℃ at 760 mmHg |
Density: | 1.48 g/cm3 |
MDL: | MFCD00661369 |
LogP: | 1.80170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021073185-A | Its use in novel conjugates and specific conjugation of biomolecules with drugs | 20201224 |
JP-2021006531-A | Cross-linked conjugate for conjugation of cell-binding molecules | 20200901 |
JP-2020063254-A | Specific conjugates of cell-binding molecules | 20191122 |
WO-2020257998-A1 | A conjugate of a cytotoxic agent to a cell binding molecule with branched linkers | 20190624 |
TW-202041237-A | A conjugate of a tubulysin analog with branched linkers | 20190503 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.99934855 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.99934855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 89.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyridines
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