| CAS Number | 95333-74-7 |
| Catalog Number | AG01FM2X(AGN-PC-001V5R) |
| Chemical Name | 1-(4-fluorobenzyl)-1h-imidazole-2-thiol |
| IUPAC Name | 3-[(4-fluorophenyl)methyl]-1H-imidazole-2-thione |
| InChI | InChI=1S/C10H9FN2S/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-6H,7H2,(H,12,14) |
| InChI Key | AWRNKBMEDXPMIN-UHFFFAOYSA-N |
| MDL Number | MFCD11201086 |
| Molecular Formula | C10H9FN2S |
| Molecular Weight | 208.2553 |
| SMILES | Fc1ccc(cc1)Cn1ccnc1S |
| Synonyms | 1-(4-fluorobenzyl)-1H-imidazole-2-thiol,
CHEMBL67229,
95333-74-7,
1-(4-Fluorobenzyl)-1H-imidazole-2(3H)-thione,
SCHEMBL9836342,
BDBM50025802,
ZINC13776309,
AKOS005208538,
MCULE-5772151116,
1-[(4-fluorophenyl)methyl]imidazole-2-thiol,
L-4683,
1-[(4-fluorophenyl)methyl]-1H-imidazole-2-thiol,
1-(4-Fluoro-benzyl)-1,3-dihydro-imidazole-2-thione,
F2135-0845,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.254g/mol |
| Monoisotopic Mass | 208.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number