| CAS Number | 374703-78-3 |
| Catalog Number | AG01EO3T(AGN-PC-3H4660) |
| Chemical Name | PKG Drug G1 |
| IUPAC Name | 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione |
| InChI | InChI=1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18) |
| InChI Key | BPJCCABLAZZIEJ-UHFFFAOYSA-N |
| MDL Number | MFCD00225210 |
| Molecular Formula | C13H11N3OS |
| Molecular Weight | 257.3109 |
| SMILES | CC=1NC2=CC=CC=C2C1C=C1C(NC(N1)=S)=O |
| Synonyms | PKG drug G1,
374703-78-3,
(5Z)-5-[(2-methyl-1H-indol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one,
BCP29061,
5-(2-Methyl-1H-indole-3-ylmethylene)-2-thioxoimidazolidine-4-one,
|
| Complexity | 493 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.311g/mol |
| Monoisotopic Mass | 257.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number