| CAS Number | 10445-04-2 |
| Catalog Number | AG00JSY4(AGN-PC-0WOO04) |
| Chemical Name | 5-[4-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15) |
| InChI Key | IKOYAQXGLSFYSH-UHFFFAOYSA-N |
| MDL Number | MFCD06761683 |
| Molecular Formula | C9H6F3N3S |
| Molecular Weight | 245.2242 |
| SMILES | NC1=NN=C(C2=CC=C(C(F)(F)F)C=C2)S1 |
| Synonyms | 5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine,
10445-04-2,
5-(4-(Trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-amine,
5-(4-trifluoromethyl-phenyl)-[1,3,4]thiadiazol-2-ylamine,
AC1OMV75,
SCHEMBL20214353,
KS-00001KQY,
ZINC5066521,
MFCD06761683,
STL455274,
AKOS000225677,
Z2719319402,
ZINC05066521,
CID7479832,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.223g/mol |
| Monoisotopic Mass | 245.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number