(2-Pyridyl)thiourea - CAS 14294-11-2
Catalog: |
BB009474 |
Product Name: |
(2-Pyridyl)thiourea |
CAS: |
14294-11-2 |
Synonyms: |
2-pyridinylthiourea; pyridin-2-ylthiourea |
IUPAC Name: | pyridin-2-ylthiourea |
Description: | (2-Pyridyl)thiourea (CAS# 14294-11-2) is an intermediate used to prepare disubstituted thiazoles as potential antibacterial and antiinflammatory agents via condensation of phenacyl bromide with thioureas and thiosemicarbazones. It is also used in the synthesis of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors. |
Molecular Weight: | 153.20 |
Molecular Formula: | C6H7N3S |
Canonical SMILES: | C1=CC=NC(=C1)NC(=S)N |
InChI: | InChI=1S/C6H7N3S/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H3,7,8,9,10) |
InChI Key: | SLUHLANJIVXTRQ-UHFFFAOYSA-N |
Boiling Point: | 298.7 °C at 760 mmHg |
Density: | 1.382 g/cm3 |
MDL: | MFCD00041227 |
LogP: | 1.51040 |
GHS Hazard Statement: | H301 (14.58%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112946157-A | Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection | 20210208 |
KR-102178078-B1 | ECS-Panel and method for repairing and reinforcing concrete structure using the same | 20200608 |
CN-113491636-A | Dental composition characterized by index of amount of silane coupling agent blended | 20200401 |
CN-113495316-A | Polarizing plate and image display device using the same | 20200401 |
KR-20210122699-A | Polarizing plate and image display device using the polarizing plate | 20200401 |
PMID | Publication Date | Title | Journal |
15964195 | 20051001 | Thiourea-based non-nucleoside inhibitors of HIV reverse transcriptase as bifunctional organocatalysts in the asymmetric Strecker synthesis | Bioorganic & medicinal chemistry |
12614897 | 20030320 | Substituted heterocyclic thiourea compounds as a new class of anti-allergic agents inhibiting IgE/Fc epsilon RI receptor mediated mast cell leukotriene release | Bioorganic & medicinal chemistry |
12604339 | 20030307 | Potent dual anti-HIV and spermicidal activities of novel oxovanadium(V) complexes with thiourea non-nucleoside inhibitors of HIV-1 reverse transcriptase | Biochemical and biophysical research communications |
12565956 | 20030210 | Inhibition of mast cell leukotriene release by thiourea derivatives | Bioorganic & medicinal chemistry letters |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.03606841 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.03606841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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