5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-thiol - CAS 23766-28-1
Catalog: |
BB018175 |
Product Name: |
5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-thiol |
CAS: |
23766-28-1 |
Synonyms: |
5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione |
IUPAC Name: | 5-(4-chlorophenyl)-3H-1,3,4-oxadiazole-2-thione |
Description: | 5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-thiol (CAS# 23766-28-1) is a useful reagent for synthesis of an antimicrobial drug (substitued 1,3,4-oxadiazole) with functionalized silica. |
Molecular Weight: | 212.66 |
Molecular Formula: | C8H5ClN2OS |
Canonical SMILES: | C1=CC(=CC=C1C2=NNC(=S)O2)Cl |
InChI: | InChI=1S/C8H5ClN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13) |
InChI Key: | MUFWSGAENICYQA-UHFFFAOYSA-N |
Boiling Point: | 277 ℃ at 760 mmHg |
Density: | 1.53 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD00227512 |
LogP: | 2.39000 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461630-A | Nootkatone thioether derivative containing 1,3, 4-oxadiazole ring, and preparation method and application thereof | 20210610 |
CN-111116506-A | Synthetic method of aromatic mercapto-diazole derivative | 20191231 |
CN-110698422-A | Synthetic method of aromatic mercapto-diazole derivative | 20190920 |
CZ-2014890-A3 | Substituted dinitrophenyltetrazole, its use and the pharmaceutical composition containing it | 20141211 |
CZ-306321-B6 | Substituted dinitrophenyltetrazole, its use and the pharmaceutical composition containing it | 20141211 |
PMID | Publication Date | Title | Journal |
28083914 | 20170801 | Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as antimycobacterial agents | Chemical biology & drug design |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.9811117 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.9811117 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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