| CAS Number | 796084-53-2 |
| Catalog Number | AG00G3TM |
| Chemical Name | 5-Chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazole-2-thiol |
| IUPAC Name | 6-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione |
| InChI | InChI=1S/C10H11ClN2OS/c1-14-5-4-13-9-3-2-7(11)6-8(9)12-10(13)15/h2-3,6H,4-5H2,1H3,(H,12,15) |
| InChI Key | CDZARKBHQKMWFV-UHFFFAOYSA-N |
| MDL Number | MFCD06371771 |
| Molecular Formula | C10H11ClN2OS |
| Molecular Weight | 242.7251 |
| SMILES | SC1=NC2=CC(Cl)=CC=C2N1CCOC |
| Synonyms | 5-chloro-1-(2-methoxyethyl)-1H-benzimidazole-2-thiol,
796084-53-2,
5-chloro-1-(2-methoxyethyl)-1H-1,3-benzodiazole-2-thiol,
5-Chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazole-2-thiol,
AC1NLPG8,
AC1Q4G0J,
CTK7B3317,
CTK8F6778,
ZINC3342671,
AKOS000117405,
MCULE-1991036328,
NE26072,
EN300-11639,
SR-01000061595,
J-517232,
SR-01000061595-1,
6-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione,
ZINC03342671,
CID4961659,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.721g/mol |
| Monoisotopic Mass | 242.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number