| CAS Number | 851879-28-2 |
| Catalog Number | AG019NZW |
| Chemical Name | 1-(3-chloro-2-methylphenyl)-1H-imidazole-2-thiol |
| IUPAC Name | 3-(3-chloro-2-methylphenyl)-1H-imidazole-2-thione |
| InChI | InChI=1S/C10H9ClN2S/c1-7-8(11)3-2-4-9(7)13-6-5-12-10(13)14/h2-6H,1H3,(H,12,14) |
| InChI Key | DBXRSCUPUYBYOK-UHFFFAOYSA-N |
| MDL Number | MFCD06655281 |
| Molecular Formula | C10H9ClN2S |
| Molecular Weight | 224.7099 |
| SMILES | CC1=C(N2C(S)=NC=C2)C=CC=C1Cl |
| Synonyms | 1-(3-chloro-2-methylphenyl)-1H-imidazole-2-thiol,
851879-28-2,
AC1NLPPN,
AC1Q2ES3,
CTK6H2915,
CTK8F2702,
ZINC3407903,
AKOS008987350,
AKOS022362129,
MCULE-9518243902,
NE35751,
EN300-12296,
AB00731287-01,
3-(3-chloro-2-methylphenyl)-1H-imidazole-2-thione,
Z85921055,
ZINC03407903,
CID4961837,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.706g/mol |
| Monoisotopic Mass | 224.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number