| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: Methyl (phenylthio)acetate Methyl (phenylthio)acetate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17277-58-6 , [17277-58-6]
(Phenylthio)acetic acid methyl ester
Methyl (phenylmercapto)acetate
| 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) | 2.23 | 1.77 | -6.99 | 0 | 2 | 0 | 26 | 182.244 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 102 / 3 | TCI |
| BP [°C] | 104 - 105 (p=4 torr) | Acros Organics |
| Boiling_Point | 104-105?/4mm | Alfa-Aesar |
| Boiling_Point | 104-105°/4mm | Alfa-Aesar |
| Purity | 98.0%min | APIChem |
| Purity | 99% | Fluorochem |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H315: Causes skin irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H319: Causes serious eye irritation | 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray.; 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 |
