| CAS Number | 887623-87-2 |
| Catalog Number | AG00H491(AGN-PC-07R0S8) |
| Chemical Name | 5-Chloro-3-(4-chlorophenyl)-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-(4-chlorophenyl)-1,2,4-thiadiazole |
| InChI | InChI=1S/C8H4Cl2N2S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H |
| InChI Key | MZLWEBFWFODGTC-UHFFFAOYSA-N |
| MDL Number | MFCD14707344 |
| Molecular Formula | C8H4Cl2N2S |
| Molecular Weight | 231.1018 |
| SMILES | C1=CC(=CC=C1C2=NSC(=N2)Cl)Cl |
| Synonyms | 5-chloro-3-(4-chlorophenyl)-1,2,4-thiadiazole,
887623-87-2,
1,2,4-Thiadiazole, 5-chloro-3-(4-chlorophenyl)-,
SCHEMBL1219538,
MZLWEBFWFODGTC-UHFFFAOYSA-N,
KS-00001KT8,
MFCD14707344,
ZINC47218921,
AKOS014601529,
FT-0754743,
T6710,
3-(4-Chlorophenyl)-5-chloro-1,2,4-thiadiazole,
|
| Complexity | 174 |
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number