| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile 4,6-Dimethyl-2-thioxo-1,2-dihydr…
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CAS Number: 54585-47-6
2-mercapto-4,6-dimethylnicotinonitrile
3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE
3-pyridinecarbonitrile, 2-mercapto-4,6-dimethyl-
4,6-dimethyl-2-sulfanylnicotinonitrile
4,6-dimethyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.23 | 4.96 | -26.08 | 1 | 2 | 0 | 40 | 164.233 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 255 - 257 | Enamine Building Blocks |
| MP | 255...257 | Enamine Building Blocks |
| melting_point | 264 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.