5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazole-3-thiol - CAS 512810-96-7
Catalog: |
BB045570 |
Product Name: |
5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazole-3-thiol |
CAS: |
512810-96-7 |
Synonyms: |
5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol |
IUPAC Name: | 3-(1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione |
Description: | 5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazole-3-thiol (CAS# 512810-96-7 ) is a useful research chemical. |
Molecular Weight: | 251.35 |
Molecular Formula: | C11H17N5S |
Canonical SMILES: | CC1=CC(=NN1C)C2=NNC(=S)N2CC(C)C |
InChI: | InChI=1S/C11H17N5S/c1-7(2)6-16-10(12-13-11(16)17)9-5-8(3)15(4)14-9/h5,7H,6H2,1-4H3,(H,13,17) |
InChI Key: | OXAKUKBLNJLTQR-UHFFFAOYSA-N |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.12046674 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.12046674 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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