| CAS Number | 1092961-05-1 |
| Catalog Number | AG008TYF(AGN-PC-0WCYG8) |
| Chemical Name | 3,5-Dimethylthioisonicotinamide |
| IUPAC Name | 3,5-dimethylpyridine-4-carbothioamide |
| InChI | InChI=1S/C8H10N2S/c1-5-3-10-4-6(2)7(5)8(9)11/h3-4H,1-2H3,(H2,9,11) |
| InChI Key | XXRQNNFAWGOBAF-UHFFFAOYSA-N |
| MDL Number | MFCD11052632 |
| Molecular Formula | C8H10N2S |
| Molecular Weight | 166.2434 |
| SMILES | S=C(C1=C(C)C=NC=C1C)N |
| Synonyms | 3,5-Dimethylpyridine-4-carbothioamide,
1092961-05-1,
3,5-DIMETHYLTHIOISONICOTINAMIDE,
W-204707,
CTK7D3810,
DTXSID00678465,
FCH887835,
MFCD11052632,
ZINC30677796,
AKOS006308127,
RP02485,
AK270447,
Y7019,
C-2224,
J-511369,
C8H10N2S,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.242g/mol |
| Monoisotopic Mass | 166.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number