| CAS Number | 1423027-08-0 |
| Catalog Number | AG01A21L |
| Chemical Name | 6-(tert-butylsulfanyl)pyridine-3-carbothioamide |
| IUPAC Name | 6-tert-butylsulfanylpyridine-3-carbothioamide |
| InChI | InChI=1S/C10H14N2S2/c1-10(2,3)14-8-5-4-7(6-12-8)9(11)13/h4-6H,1-3H3,(H2,11,13) |
| InChI Key | OSBQNTBWBYOGPF-UHFFFAOYSA-N |
| MDL Number | MFCD22566013 |
| Molecular Formula | C10H14N2S2 |
| Molecular Weight | 226.3616 |
| SMILES | CC(SC1=NC=C(C(N)=S)C=C1)(C)C |
| Synonyms | 6-(tert-butylsulfanyl)pyridine-3-carbothioamide,
1423027-08-0,
ZINC82164527,
NE24718,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.356g/mol |
| Monoisotopic Mass | 226.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number