4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol - CAS 22706-11-2
Catalog: |
BB017717 |
Product Name: |
4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol |
CAS: |
22706-11-2 |
Synonyms: |
4-amino-3-phenyl-1H-1,2,4-triazole-5-thione |
IUPAC Name: | 4-amino-3-phenyl-1H-1,2,4-triazole-5-thione |
Description: | 4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS# 22706-11-2) is a useful research chemical. |
Molecular Weight: | 192.24 |
Molecular Formula: | C8H8N4S |
Canonical SMILES: | C1=CC=C(C=C1)C2=NNC(=S)N2N |
InChI: | InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13) |
InChI Key: | OKNHZPGPLNUEPC-UHFFFAOYSA-N |
Boiling Point: | 309.4 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00269264 |
LogP: | 1.52880 |
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 |
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PMID | Publication Date | Title | Journal |
22444681 | 20120415 | Thiosemicarbazone fragment embedded within 1,2,4-triazole ring as inhibitors of Entamoeba histolytica | Bioorganic & medicinal chemistry letters |
21454157 | 20110401 | Synthesis and biological evaluation of some schiff bases of [4-(amino)-5-phenyl-4H-1, 2,4-triazole-3-thiol] | Pakistan journal of pharmaceutical sciences |
18827398 | 20081001 | Synthesis, anti-bacterial and anti-oxidant properties of thiadiazaphosphol-2-ones | Chemical & pharmaceutical bulletin |
21202676 | 20080530 | 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.04696745 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.04696745 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 85.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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