| CAS Number | 112941-27-2 |
| Catalog Number | AG01BVV3(AGN-PC-0P46CV) |
| Chemical Name | {[(2-cyanophenyl)methyl]sulfanyl}methanimidamide hydrochloride |
| IUPAC Name | (2-cyanophenyl)methyl carbamimidothioate;hydrochloride |
| InChI | InChI=1S/C9H9N3S.ClH/c10-5-7-3-1-2-4-8(7)6-13-9(11)12;/h1-4H,6H2,(H3,11,12);1H |
| InChI Key | DZGMYDLFEPNNKE-UHFFFAOYSA-N |
| MDL Number | MFCD31629850 |
| Molecular Formula | C9H10ClN3S |
| Molecular Weight | 227.7138 |
| SMILES | Cl.NC(SCC1=C(C#N)C=CC=C1)=N |
| Synonyms | {[(2-cyanophenyl)methyl]sulfanyl}methanimidamide hydrochloride,
112941-27-2,
|
| Complexity | 230 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.71g/mol |
| Monoisotopic Mass | 227.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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