| CAS Number | 1482168-83-1 |
| Catalog Number | AG01ACVD(AGN-PC-0WO5A4) |
| Chemical Name | 2-(1-chloroethyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole |
| IUPAC Name | 2-(1-chloroethyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C10H8ClFN2S/c1-6(11)9-13-14-10(15-9)7-3-2-4-8(12)5-7/h2-6H,1H3 |
| InChI Key | OLTWIJTXBDLEPI-UHFFFAOYSA-N |
| MDL Number | MFCD21288572 |
| Molecular Formula | C10H8ClFN2S |
| Molecular Weight | 242.7003 |
| SMILES | CC(C1SC(C2=CC(F)=CC=C2)=NN=1)Cl |
| Synonyms | 2-(1-chloroethyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole,
1482168-83-1,
AKOS015035699,
NE49182,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.696g/mol |
| Monoisotopic Mass | 242.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number