| CAS Number | 1153981-93-1 |
| Catalog Number | AG00HCZT |
| Chemical Name | 3-(4-TRIFLUOROMETHYLPHENYL)-5-AMINO-[1,2,4]THIADIAZOLE |
| IUPAC Name | 3-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine |
| InChI | InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-14-8(13)16-15-7/h1-4H,(H2,13,14,15) |
| InChI Key | WHZCFYQQFJYQDI-UHFFFAOYSA-N |
| MDL Number | MFCD12137274 |
| Molecular Formula | C9H6F3N3S |
| Molecular Weight | 245.2242 |
| SMILES | FC(F)(F)C=1C=CC(=CC1)C2=NSC(=N2)N |
| Synonyms | 1153981-93-1,
3-(4-TRIFLUOROMETHYLPHENYL)-5-AMINO-[1,2,4]THIADIAZOLE,
3-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine,
3-(4-(Trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-amine,
DTXSID20656169,
MFCD12137274,
ZINC36753316,
AKOS009578761,
AS-31813,
|
| 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 | 2.2 |
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Certificate of Analysis
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