| CAS Number | 1038333-46-8 |
| Catalog Number | AG019Y6X |
| Chemical Name | 1-(4-fluorophenyl)-1H-1,3-benzodiazole-2-thiol |
| IUPAC Name | 3-(4-fluorophenyl)-1H-benzimidazole-2-thione |
| InChI | InChI=1S/C13H9FN2S/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-8H,(H,15,17) |
| InChI Key | AJNDNJRXZKSEJY-UHFFFAOYSA-N |
| MDL Number | MFCD11202249 |
| Molecular Formula | C13H9FN2S |
| Molecular Weight | 244.2874 |
| SMILES | FC1=CC=C(N2C3=C(C=CC=C3)N=C2S)C=C1 |
| Synonyms | 1-(4-fluorophenyl)-1H-1,3-benzodiazole-2-thiol,
1038333-46-8,
AC1Q4M9A,
CTK7C0679,
ZINC20586005,
AKOS009282443,
AKOS023135566,
MCULE-6206315401,
NE22565,
EN300-57245,
1-(4-Fluorophenyl)-1H-benzoimidazole-2(3H)-thione,
Z1591781779,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.287g/mol |
| Monoisotopic Mass | 244.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number