| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 6 | No |
Popular Name: 3-(Methylthio)propionaldehyde 3-(Methylthio)propionaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 136430-27-8 , 3268-49-3 , [3268-49-3]
"3-(Methylthio)propionaldehyde, 95%"
3-(Methylmercapto)propionaldehyde
3-(Methylthio)propionaldehyde, 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) | 0.93 | 3.2 | -6.4 | 0 | 1 | 0 | 17 | 104.174 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 58? | Alfa-Aesar |
| Melting_Point | 58° | Alfa-Aesar |
| BP [°C] | 165 - 166 (p=11 torr) | Acros Organics |
| Boiling_Point | 165-166? | Alfa-Aesar |
| Boiling_Point | 165-166° | Alfa-Aesar |
| BP | 61 / 14.3 | TCI |
| Hazard | C: Corrosive | Acros Organics |
| Patent Database Links | EP1422218; EP1808184 | ChEBI |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage | 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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P310: Immediately call a POISON CENTER or doctor/physician; P305 + P351 + P338: IF IN EYES: Rinse cauti | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R34: Causes burns. | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.