| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 7 | No |
Popular Name: Allyl sulfide Allyl sulfide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 592-88-1 , [592-88-1]
| 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) | 2.13 | 5.37 | -1.9 | 0 | 0 | 0 | 0 | 114.213 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 83 | Acros Organics |
| Melting_Point | 83? | Alfa-Aesar |
| Melting_Point | 83° | Alfa-Aesar |
| Boiling_Point | 137-138? | Alfa-Aesar |
| Boiling_Point | 137-138° | Alfa-Aesar |
| BP [°C] | 138 | Acros Organics |
| therap | anitbacterial, antifungal, antineoplastic, antihypercholesterolaemic, hepatoprotectant | MicroSource Spectrum |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation; H226: Flammable liquid and vapor | 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S23: Do not breathe gas/fumes/vapour/spray.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.