| CAS Number | 1086385-83-2 |
| Catalog Number | AG00909W(AGN-PC-0WBQC5) |
| Chemical Name | 5-(4-fluorophenyl)-1,2,4-thiadiazol-3-amine |
| IUPAC Name | 5-(4-fluorophenyl)-1,2,4-thiadiazol-3-amine |
| InChI | InChI=1S/C8H6FN3S/c9-6-3-1-5(2-4-6)7-11-8(10)12-13-7/h1-4H,(H2,10,12) |
| InChI Key | MMIMNOLKKPZKTQ-UHFFFAOYSA-N |
| MDL Number | MFCD11655561 |
| Molecular Formula | C8H6FN3S |
| Molecular Weight | 195.2167 |
| SMILES | NC1N=C(C2=CC=C(F)C=C2)SN=1 |
| Synonyms | 5-(4-fluorophenyl)-1,2,4-thiadiazol-3-amine,
1086385-83-2,
MFCD11655561,
3-Amino-5-(4-fluorophenyl)-1,2,4-thiadiazole,
ZINC36294237,
AKOS013869942,
MCULE-8200850598,
3-Amino-5-(4-fluorophenyl)-1,2,4-thiadiazole, 96%,
F9995-0970,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.215g/mol |
| Monoisotopic Mass | 195.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number