| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 7 | No |
Popular Name: 3-Amino-5-mercapto-1,2,4-triazole 3-Amino-5-mercapto-1,2,4-triazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16691-43-3 , [16691-43-3]
"3-Amino-5-mercapto-1,2,4-triazole, 98%"
3-Amino-1,2,4-triazole-5-thiol
3-amino-1H-1,2,4-triazole-5-thiol
3-Amino-5-mercapto-1,2,4-triazole, 98+%
3-Amino-5-mercapto-1,2,4-triazole, 99%
3-Amino-5-mercapto-[1,2,4]TRIAZOLE
3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro- (9CI)
| 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) | -0.82 | 2.14 | -11.71 | 4 | 4 | 0 | 70 | 116.149 | 0 | ↓ |
| Ref Reference (pH 7) | -0.09 | 2.11 | -41.85 | 3 | 4 | -1 | 68 | 115.141 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98% | APIChem |
| Purity | 99% | Fluorochem |
| Mp [°C] | >300 | Acros Organics |
| Melting_Point | >300? dec. | Alfa-Aesar |
| MP | >300° | Oakwood Chemical |
| Melting_Point | >300° dec. | Alfa-Aesar |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | 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 | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.