| CAS Number | 798573-42-9 |
| Catalog Number | AG01BUV5(AGN-PC-0UFKBG) |
| Chemical Name | 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole |
| IUPAC Name | 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole |
| InChI | InChI=1S/C12H8F3N3OS/c1-19-8-4-2-7(3-5-8)9-6-18-11(16-9)20-10(17-18)12(13,14)15/h2-6H,1H3 |
| InChI Key | FTNHMTKQDPGOAJ-UHFFFAOYSA-N |
| MDL Number | MFCD22573790 |
| Molecular Formula | C12H8F3N3OS |
| Molecular Weight | 299.2716 |
| SMILES | COC1=CC=C(C2N=C3N(N=C(C(F)(F)F)S3)C=2)C=C1 |
| Synonyms | 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole,
798573-42-9,
AC1MHK7R,
MFCD22573790,
ZINC33493495,
AKOS027329928,
AS-37570,
Imidazo[2,1-b]-1,3,4-thiadiazole, 6-(4-methoxyphenyl)-2-(trifluoromethyl)-,
AIDS173133,
CID3006244,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.271g/mol |
| Monoisotopic Mass | 299.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number