| CAS Number | 1820739-64-7 |
| Catalog Number | AG01AN2Q |
| Chemical Name | 1-[(6-chloropyridin-3-yl)sulfanyl]-N,N-dimethylformamide |
| IUPAC Name | S-(6-chloropyridin-3-yl) N,N-dimethylcarbamothioate |
| InChI | InChI=1S/C8H9ClN2OS/c1-11(2)8(12)13-6-3-4-7(9)10-5-6/h3-5H,1-2H3 |
| InChI Key | OKPPYJHRTJGXCY-UHFFFAOYSA-N |
| MDL Number | MFCD29034124 |
| Molecular Formula | C8H9ClN2OS |
| Molecular Weight | 216.6879 |
| SMILES | CN(C(SC1=CN=C(Cl)C=C1)=O)C |
| Synonyms | 1820739-64-7,
1-[(6-chloropyridin-3-yl)sulfanyl]-N,N-dimethylformamide,
ZINC238854580,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.683g/mol |
| Monoisotopic Mass | 216.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number