| CAS Number | 2031260-44-1 |
| Catalog Number | AG01BUOF |
| Chemical Name | potassium (5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanide |
| IUPAC Name | potassium;5-oxo-7,8-dihydro-6H-quinazoline-2-thiolate |
| InChI | InChI=1S/C8H8N2OS.K/c11-7-3-1-2-6-5(7)4-9-8(12)10-6;/h4H,1-3H2,(H,9,10,12);/q;+1/p-1 |
| InChI Key | VYHZKQQJWMQUNM-UHFFFAOYSA-M |
| MDL Number | MFCD30345356 |
| Molecular Formula | C8H7KN2OS |
| Molecular Weight | 218.3173 |
| SMILES | [K+].[S-]C1=NC2=C(C(CCC2)=O)C=N1 |
| Synonyms | potassium (5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanide,
2031260-44-1,
Z2678251341,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.315g/mol |
| Monoisotopic Mass | 217.992g/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