| CAS Number | 1955499-06-5 |
| Catalog Number | AG01B5L5 |
| Chemical Name | 5-benzyl-1,3,4-thiadiazol-2-amine hydrochloride |
| IUPAC Name | 5-benzyl-1,3,4-thiadiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C9H9N3S.ClH/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,10,12);1H |
| InChI Key | CKXCNZNLHLDAIU-UHFFFAOYSA-N |
| MDL Number | MFCD30181132 |
| Molecular Formula | C9H10ClN3S |
| Molecular Weight | 227.7138 |
| SMILES | Cl.NC1SC(CC2=CC=CC=C2)=NN=1 |
| Synonyms | 5-benzyl-1,3,4-thiadiazol-2-amine hydrochloride,
1955499-06-5,
|
| 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 | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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