4-Amino-5-(4-fluorobenzyl)-4h-1,2,4-triazole-3-thiol - CAS 151297-84-6
Catalog: |
BB074428 |
Product Name: |
4-Amino-5-(4-fluorobenzyl)-4h-1,2,4-triazole-3-thiol |
CAS: |
151297-84-6 |
Synonyms: |
4-amino-5-(4-fluorobenzyl)-4H-1,2,4-triazole-3-thiol; 4-amino-3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione; 4-amino-5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazole-3-thiol |
IUPAC Name: | 4-amino-3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione |
Description: | 4-Amino-5-(4-fluorobenzyl)-4h-1,2,4-triazole-3-thiol |
Molecular Weight: | 224.26 |
Molecular Formula: | C9H9FN4S |
Canonical SMILES: | C1=CC(=CC=C1CC2=NNC(=S)N2N)F |
InChI: | InChI=1S/C9H9FN4S/c10-7-3-1-6(2-4-7)5-8-12-13-9(15)14(8)11/h1-4H,5,11H2,(H,13,15) |
InChI Key: | JZYRRNALZBYGTM-UHFFFAOYSA-N |
Solubility: | 28.7 ug/ml |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.05319564 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.05319564 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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