| CAS Number | 1087792-49-1 |
| Catalog Number | AG019N15 |
| Chemical Name | 5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| IUPAC Name | 5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| InChI | InChI=1S/C12H12ClN3OS/c1-2-8-3-5-9(6-4-8)14-11(17)12-16-15-10(7-13)18-12/h3-6H,2,7H2,1H3,(H,14,17) |
| InChI Key | IGHYJZJMLYBGKS-UHFFFAOYSA-N |
| MDL Number | MFCD11099637 |
| Molecular Formula | C12H12ClN3OS |
| Molecular Weight | 281.7612 |
| SMILES | CCC1=CC=C(NC(C2SC(CCl)=NN=2)=O)C=C1 |
| Synonyms | 5-(chloromethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide,
1087792-49-1,
AC1Q2TK5,
CTK6D1591,
ZINC32627461,
AKOS030690211,
MCULE-7778896403,
NE14892,
EN300-39129,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.758g/mol |
| Monoisotopic Mass | 281.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number