5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol - CAS 1004644-22-7
Catalog: |
BB049764 |
Product Name: |
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol |
CAS: |
1004644-22-7 |
Synonyms: |
5-(5-Methyl-pyrazol-1-ylmethyl)-[1,3,4]oxadiazole-2-thiol; 5-((5-Methyl-1H-pyrazol-1-yl)methyl)-1,3,4-oxadiazole-2-thiol; 5-[(5-methylpyrazolyl)methyl]-1,3,4-oxadiazole-2-thiol |
IUPAC Name: | 5-[(5-methylpyrazol-1-yl)methyl]-3H-1,3,4-oxadiazole-2-thione |
Description: | 5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol (CAS# 1004644-22-7 ) is a useful research chemical. |
Molecular Weight: | 196.23 |
Molecular Formula: | C7H8N4OS |
Canonical SMILES: | CC1=CC=NN1CC2=NNC(=S)O2 |
InChI: | InChI=1S/C7H8N4OS/c1-5-2-3-8-11(5)4-6-9-10-7(13)12-6/h2-3H,4H2,1H3,(H,10,13) |
InChI Key: | RKVMQKHHSTYRIR-UHFFFAOYSA-N |
Boiling Point: | 289.6±42.0 ℃ (Predicted) |
Density: | 1.53±0.1 g/cm3(Predicted) |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.04188206 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.04188206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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