| CAS Number | 923811-99-8 |
| Catalog Number | AG019K9Y(AGN-PC-0WAHQ3) |
| Chemical Name | 1-[(oxolan-2-yl)methyl]-5-phenyl-1H-imidazole-2-thiol |
| IUPAC Name | 3-(oxolan-2-ylmethyl)-4-phenyl-1H-imidazole-2-thione |
| InChI | InChI=1S/C14H16N2OS/c18-14-15-9-13(11-5-2-1-3-6-11)16(14)10-12-7-4-8-17-12/h1-3,5-6,9,12H,4,7-8,10H2,(H,15,18) |
| InChI Key | BIUAMWCDKXCANE-UHFFFAOYSA-N |
| MDL Number | MFCD08691215 |
| Molecular Formula | C14H16N2OS |
| Molecular Weight | 260.3546 |
| SMILES | SC1N(CC2OCCC2)C(C2=CC=CC=C2)=CN=1 |
| Synonyms | 1-(oxolan-2-ylmethyl)-5-phenyl-1H-imidazole-2-thiol,
923811-99-8,
5-phenyl-1-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-thiol,
AC1Q7GB4,
AKOS009104277,
MCULE-8554185562,
NE36627,
EN300-26121,
1-[(oxolan-2-yl)methyl]-5-phenyl-1H-imidazole-2-thiol,
Z221429208,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.355g/mol |
| Monoisotopic Mass | 260.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number