| CAS Number | 17467-32-2 |
| Catalog Number | AG01DYV9(AGN-PC-0ND8NA) |
| Chemical Name | N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine |
| IUPAC Name | N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine |
| InChI | InChI=1S/C9H9N3S/c1-10-9-11-8(12-13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12) |
| InChI Key | JDQNWJATWCEAPQ-UHFFFAOYSA-N |
| MDL Number | MFCD20882294 |
| Molecular Formula | C9H9N3S |
| Molecular Weight | 191.2529 |
| SMILES | CNC1SN=C(C2=CC=CC=C2)N=1 |
| Synonyms | N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine,
17467-32-2,
1,2,4-Thiadiazol-5-amine, N-methyl-3-phenyl-,
SCHEMBL9852227,
AKOS014603482,
CID10943304,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.252g/mol |
| Monoisotopic Mass | 191.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number