| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 4'-(Methylthio)acetophenone 4'-(Methylthio)acetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1178-09-2 , 1778-09-2 , 9/2/1778 , [1778-09-2]
1-(4-(Methylthio)phenyl)ethanone
1-(4-Methylsulfanyl-phenyl)-ethanone
1-[4-(methylsulfanyl)phenyl]ethanone
1-[4-(methylthio)phenyl]ethanone
4'-(Methylmercapto)acetophenone
4'-(Methylthio)acetophenone, 97%
| 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) | 2.27 | 1.27 | -7.3 | 0 | 1 | 0 | 17 | 166.245 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 135?/1mm | Alfa-Aesar |
| Boiling_Point | 135°/1mm | Alfa-Aesar |
| MP | 79 | TCI |
| MP | 80 - 82 | Enamine Building Blocks |
| Melting_Point | 80-82? | Alfa-Aesar |
| Melting_Point | 80-82° | Alfa-Aesar |
| MP | 80...82 | Enamine Building Blocks |
| Mp [°C] | 82 - 84 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
