5-(2-Furyl)-2,4-dihydro-[1,2,4]-triazole-3-thione - CAS 35771-65-4
Catalog: |
BB022755 |
Product Name: |
5-(2-Furyl)-2,4-dihydro-[1,2,4]-triazole-3-thione |
CAS: |
35771-65-4 |
Synonyms: |
5-(furan-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione |
IUPAC Name: | 5-(furan-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione |
Description: | 5-(2-Furyl)-2,4-dihydro-[1,2,4]-triazole-3-thione (CAS# 35771-65-4) is a useful research chemical. |
Molecular Weight: | 167.19 |
Molecular Formula: | C6H5N3OS |
Canonical SMILES: | C1=COC(=C1)C2=NC(=S)NN2 |
InChI: | InChI=1S/C6H5N3OS/c11-6-7-5(8-9-6)4-2-1-3-10-4/h1-3H,(H2,7,8,9,11) |
InChI Key: | PQFBWTHPDGFZBD-UHFFFAOYSA-N |
Boiling Point: | 242.1 °C at 760 mmHg |
Density: | 1.65 g/cm3 |
MDL: | MFCD00489781 |
LogP: | 1.35340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110840897-A | Metal β -lactamase inhibitor | 20191128 |
CZ-2014891-A3 | Dinitrophenyl oxadiazole or triazole, its use and the pharmaceutical composition containing it | 20141211 |
EP-3094619-A1 | Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin | 20140113 |
EP-3094619-B1 | Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin | 20140113 |
EP-3626707-A1 | Heteroaryl disulfide compounds as allosteric effectors for increasing the oxygen-binding affinity of hemoglobin | 20140113 |
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 |
18007318 | 20050227 | 5-Furan-2yl[1,3,4]oxadiazole-2-thiol, 5-furan-2yl-4H [1,2,4] triazole-3-thiol and their thiol-thione tautomerism | Molecules (Basel, Switzerland) |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.01533297 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.01533297 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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