| CAS Number | 875159-92-5 |
| Catalog Number | AG019PIA |
| Chemical Name | 5-(chloromethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| IUPAC Name | 5-(chloromethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| InChI | InChI=1S/C10H7Cl2N3OS/c11-5-8-14-15-10(17-8)9(16)13-7-3-1-6(12)2-4-7/h1-4H,5H2,(H,13,16) |
| InChI Key | QYTAZWQXMKULLS-UHFFFAOYSA-N |
| MDL Number | MFCD07838467 |
| Molecular Formula | C10H7Cl2N3OS |
| Molecular Weight | 288.1531 |
| SMILES | ClCC1SC(C(NC2=CC=C(Cl)C=C2)=O)=NN=1 |
| Synonyms | 5-(chloromethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide,
875159-92-5,
AC1PG83Y,
AC1Q3U5W,
CTK6H7081,
ZINC7779438,
AKOS030639133,
MCULE-9051493352,
NE18001,
EN300-23781,
ZINC07779438,
CID8893235,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.146g/mol |
| Monoisotopic Mass | 286.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number