| CAS Number | 1016833-69-4 |
| Catalog Number | AG01BEQM |
| Chemical Name | 6-(2-methoxyethoxy)pyridine-3-carbothioamide |
| IUPAC Name | 6-(2-methoxyethoxy)pyridine-3-carbothioamide |
| InChI | InChI=1S/C9H12N2O2S/c1-12-4-5-13-8-3-2-7(6-11-8)9(10)14/h2-3,6H,4-5H2,1H3,(H2,10,14) |
| InChI Key | ZMXMTLXJBOFLGZ-UHFFFAOYSA-N |
| MDL Number | MFCD09940236 |
| Molecular Formula | C9H12N2O2S |
| Molecular Weight | 212.2688 |
| SMILES | COCCOC1=NC=C(C(N)=S)C=C1 |
| Synonyms | 6-(2-methoxyethoxy)pyridine-3-carbothioamide,
1016833-69-4,
ZINC19482393,
AKOS000183545,
NE22485,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.267g/mol |
| Monoisotopic Mass | 212.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number