| CAS Number | 1256809-16-1 |
| Catalog Number | AG01BUNZ |
| Chemical Name | 5-Methoxypyridine-2-Carbothioamide |
| IUPAC Name | 5-methoxypyridine-2-carbothioamide |
| InChI | InChI=1S/C7H8N2OS/c1-10-5-2-3-6(7(8)11)9-4-5/h2-4H,1H3,(H2,8,11) |
| InChI Key | SRLGOTUKXMOFIC-UHFFFAOYSA-N |
| MDL Number | MFCD18259400 |
| Molecular Formula | C7H8N2OS |
| Molecular Weight | 168.2162 |
| SMILES | COC1=CN=C(C(N)=S)C=C1 |
| Synonyms | 5-methoxypyridine-2-carbothioamide,
1256809-16-1,
ZINC96868730,
AKOS017515536,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.214g/mol |
| Monoisotopic Mass | 168.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number