5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione - CAS 26028-65-9
Catalog: |
BB019107 |
Product Name: |
5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione |
CAS: |
26028-65-9 |
Synonyms: |
5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione |
IUPAC Name: | 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione |
Description: | 5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione (CAS# 26028-65-9) is a useful research chemical. |
Molecular Weight: | 211.67 |
Molecular Formula: | C8H6ClN3S |
Canonical SMILES: | C1=CC(=CC=C1C2=NC(=S)NN2)Cl |
InChI: | InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13) |
InChI Key: | NHEHIODVWGKDFV-UHFFFAOYSA-N |
Boiling Point: | 296.8 ℃ at 760 mmHg |
Melting Point: | 295-299 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.55 g/cm3 |
Solubility: | 16 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00663556 |
LogP: | 2.41380 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110313401-A | A method of promoting bud differentiation in enterprise's sword chalk Chinese cymbidium tissue culture procedures | 20190712 |
CN-107383068-B | Thiazole and triazole -6- acetamide derivative and application | 20170814 |
CN-107445979-B | 6- methYl-thiazol and triazole -5- carboxamides derivatives and application | 20170814 |
JP-2013184930-A | New synthesis inhibitor for auxin being plant hormone and use thereof in agriculture and horticulture | 20120308 |
US-2009291967-A1 | Small molecule modulators of cell adhesion | 20080305 |
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: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.9970961 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.9970961 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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