| CAS Number | 107097-06-3 |
| Catalog Number | AG019SZH(AGN-PC-0OWTKQ) |
| Chemical Name | N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine hydrochloride |
| IUPAC Name | N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C9H9N3S.ClH/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7;/h2-6H,1H3,(H,10,12);1H |
| InChI Key | SVRFDTGLRYGIMI-UHFFFAOYSA-N |
| MDL Number | MFCD20731177 |
| Molecular Formula | C9H10ClN3S |
| Molecular Weight | 227.7138 |
| SMILES | Cl.CNC1SC(C2=CC=CC=C2)=NN=1 |
| Synonyms | N-methyl-5-phenyl-1,3,4-thiadiazol-2-amine hydrochloride,
107097-06-3,
MCULE-8030103452,
NE50419,
Z1274177422,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.71g/mol |
| Monoisotopic Mass | 227.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number