| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 7 | No |
Popular Name: Thiophenol Thiophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-98-5 , 643767-79-7 , 930-69-8 , N/A
| 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) | 2.17 | 5.11 | -45.42 | 0 | 0 | -1 | 0 | 109.173 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 15 | Acros Organics |
| Melting_Point | 15? | Alfa-Aesar |
| Melting_Point | 15° | Alfa-Aesar |
| BP [°C] | 167 - 169 | Acros Organics |
| Boiling_Point | 168-169? | Alfa-Aesar |
| Boiling_Point | 168-169° | Alfa-Aesar |
| Purity | 90% | Fluorochem |
| Patent Database Links | EP0796845; EP0895991; EP0922704; EP0972770; EP1029865; EP1085016; EP1136475; EP1179530; EP1188752; EP1266888; EP1466911; EP1674484; EP1707187; EP1707188; EP1894917; US2002058660; US2003130232; US2003175848; US2004010036; US2004229869; US2005043401; US2005 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation; H300: Fatal if swallowed; H310: Fatal in contact with skin; H330: Fatal if inhaled | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and e | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R24/25: Toxic in contact with skin and if swallowed.; R26: Very toxic by inhalation.; 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.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable prot | Acros Organics |
| Hazard | T+: Very toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.