5-Phenyl-1H-1,2,4-triazole-3-thiol - CAS 3414-94-6
Catalog: |
BB021983 |
Product Name: |
5-Phenyl-1H-1,2,4-triazole-3-thiol |
CAS: |
3414-94-6 |
Synonyms: |
5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione |
IUPAC Name: | 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione |
Description: | 5-Phenyl-1H-1,2,4-triazole-3-thiol (CAS# 3414-94-6) is a useful research chemical compound. |
Molecular Weight: | 177.23 |
Molecular Formula: | C8H7N3S |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC(=S)NN2 |
InChI: | InChI=1S/C8H7N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12) |
InChI Key: | JRLMMJNORORYPO-UHFFFAOYSA-N |
Boiling Point: | 267.8 ℃ at 760 mmHg |
Density: | 1.39 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00051814 |
LogP: | 1.76040 |
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 |
CN-112899736-A | PCB high-longitudinal-transverse-through-hole electro-coppering additive and preparation method thereof | 20210115 |
US-2020365412-A1 | Chemical planarization | 20190513 |
JP-2020157678-A | Thermal recording material | 20190327 |
TW-202043340-A | Coatings for waterproofing electronic components | 20190322 |
JP-2020131588-A | Thermal recording material | 20190221 |
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 |
22115595 | 20120101 | 3-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors | Bioorganic & medicinal chemistry letters |
12873480 | 20030818 | Hit-to-lead studies: the discovery of potent, orally bioavailable triazolethiol CXCR2 receptor antagonists | Bioorganic & medicinal chemistry letters |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.03606841 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.03606841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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