| CAS Number | 36894-93-6 |
| Catalog Number | AG01A6FR(AGN-PC-00M1D9) |
| Chemical Name | 2-chloro-5-(2-chlorophenyl)-1,3,4-thiadiazole |
| IUPAC Name | 2-chloro-5-(2-chlorophenyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C8H4Cl2N2S/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4H |
| InChI Key | FMAFUQQVKRNJGP-UHFFFAOYSA-N |
| MDL Number | MFCD18344734 |
| Molecular Formula | C8H4Cl2N2S |
| Molecular Weight | 231.1018 |
| SMILES | ClC1SC(C2=C(Cl)C=CC=C2)=NN=1 |
| Synonyms | 2-chloro-5-(2-chlorophenyl)-1,3,4-thiadiazole,
36894-93-6,
SCHEMBL9848132,
ZINC39598728,
AKOS012692117,
NE43182,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.094g/mol |
| Monoisotopic Mass | 229.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number