1,2,4-Oxadiazole-3-carbothioamide - CAS 39512-80-6
Catalog: |
BB024009 |
Product Name: |
1,2,4-Oxadiazole-3-carbothioamide |
CAS: |
39512-80-6 |
Synonyms: |
1,2,4-oxadiazole-3-carbothioamide |
IUPAC Name: | 1,2,4-oxadiazole-3-carbothioamide |
Description: | 1,2,4-Oxadiazole-3-carbothioamide (CAS# 39512-80-6) is a useful research chemical. |
Molecular Weight: | 129.14 |
Molecular Formula: | C3H3N3OS |
Canonical SMILES: | C1=NC(=NO1)C(=S)N |
InChI: | InChI=1S/C3H3N3OS/c4-2(8)3-5-1-7-6-3/h1H,(H2,4,8) |
InChI Key: | XSQHJTHMNXYPPY-UHFFFAOYSA-N |
Boiling Point: | 265.8 ℃ at 760 mmHg |
Density: | 1.514 g/cm3 |
MDL: | MFCD00457756 |
LogP: | 0.40410 |
Publication Number | Title | Priority Date |
WO-2021064141-A1 | Inhibitors of dual specificity tyrosine phosphorylation regulated kinase 1b | 20191002 |
AU-2015279272-A1 | 2-aryl-4-hydroxy-1,3-thiazole derivatives useful as TRPM8-inhibitors in treatment of neuralgia, pain, COPD and asthma | 20140623 |
AU-2015279272-A2 | 2-aryl-4-hydroxy-1,3-thiazole derivatives useful as TRPM8-inhibitors in treatment of neuralgia, pain, COPD and asthma | 20140623 |
AU-2015279272-B2 | 2-aryl-4-hydroxy-1,3-thiazole derivatives useful as TRPM8-inhibitors in treatment of neuralgia, pain, COPD and asthma | 20140623 |
CN-106660975-B | 2-aryl-4-hydroxy-1, 3-thiazole derivatives as TRPM 8-inhibitors for the treatment of neuralgia, pain, COPD and asthma | 20140623 |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.9996829 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.9996829 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 97 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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