| CAS Number | 1909308-99-1 |
| Catalog Number | AG01B1VV |
| Chemical Name | potassium (7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanide |
| IUPAC Name | potassium;7,7-dimethyl-5-oxo-6,8-dihydroquinazoline-2-thiolate |
| InChI | InChI=1S/C10H12N2OS.K/c1-10(2)3-7-6(8(13)4-10)5-11-9(14)12-7;/h5H,3-4H2,1-2H3,(H,11,12,14);/q;+1/p-1 |
| InChI Key | KXNYXSDHSWADHN-UHFFFAOYSA-M |
| MDL Number | MFCD29907203 |
| Molecular Formula | C10H11KN2OS |
| Molecular Weight | 246.3704 |
| SMILES | [K+].CC1(CC2=C(C=NC(=N2)[S-])C(=O)C1)C |
| Synonyms | potassium (7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanide,
1909308-99-1,
Z2469606484,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.369g/mol |
| Monoisotopic Mass | 246.023g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number