| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 12 | No |
Popular Name: 5-Pyridin-4-yl-4H-[1,2,4]triazole-3-thiol 5-Pyridin-4-yl-4H-[1,2,4]triazol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1477-24-3 , 14910-06-6
3H-1,2,4-triazole-3-thione, 2,4-dihydro-5-(4-pyridinyl)-
5-(4-pyridinyl)-1H-1,2,4-triazole-3-thiol
5-(4-Pyridyl)-1h-1,2,4-triazole-3-thiol
5-(4-Pyridyl)-1H-1,2,4-triazole-3-thiol, 98%
5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
5-(pyridin-4-yl)-4H-[1,2,4]TRIAZOLE-3-thiol
5-Pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| 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) | 0.18 | 3.06 | -4.59 | 0 | 4 | 0 | 52 | 176.204 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 3.63 | -40.54 | 1 | 4 | -1 | 54 | 177.212 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 3.73 | -28.06 | 2 | 4 | 0 | 56 | 178.22 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 306.1 - 309 | Acros Organics |
| MP | 308 - 313 | Enamine Building Blocks |
| MP | 319 - 321 | Enamine Building Blocks |
| MP | 319...321 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing; P30 | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
