| CAS Number | 1016888-06-4 |
| Catalog Number | AG01BF5M |
| Chemical Name | 6-(propan-2-yloxy)pyridine-3-carbothioamide |
| IUPAC Name | 6-propan-2-yloxypyridine-3-carbothioamide |
| InChI | InChI=1S/C9H12N2OS/c1-6(2)12-8-4-3-7(5-11-8)9(10)13/h3-6H,1-2H3,(H2,10,13) |
| InChI Key | ZGIBMBNFHRKDQE-UHFFFAOYSA-N |
| MDL Number | MFCD09942730 |
| Molecular Formula | C9H12N2OS |
| Molecular Weight | 196.2694 |
| SMILES | CC(OC1=NC=C(C(N)=S)C=C1)C |
| Synonyms | 6-(propan-2-yloxy)pyridine-3-carbothioamide,
1016888-06-4,
ZINC19488655,
AKOS000186423,
NE35249,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.268g/mol |
| Monoisotopic Mass | 196.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number