| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 6 | Yes |
Popular Name: Ethanesulfonic acid Ethanesulfonic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5324-47-0 , 594-45-6 , [594-45-6]
Ethanesulfonic acid sodium salt
Ethanesulfonic acid sodium salt monohydrate; Natrium-ethansulfonat monohydrate; bmse000400
| 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 | -5.71 | -40.94 | 0 | 3 | -1 | 57 | 109.126 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 17 | Acros Organics |
| Melting_Point | 17? | Alfa-Aesar |
| Melting_Point | 17° | Alfa-Aesar |
| Boiling_Point | 122-123?/0.01mm | Alfa-Aesar |
| Boiling_Point | 122-123°/0.01mm | Alfa-Aesar |
| BP [°C] | 136 - 140 (p=2.25 torr) | Acros Organics |
| BP | 140 / 2 | TCI |
| ALOGPS_SOLUBILITY | 5.24e+01 g/l | DrugBank-experimental |
| Hazard | C: Corrosive | Acros Organics |
| Melting_Point | ca 270? | Alfa-Aesar |
| Melting_Point | ca 270° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0255134A2; US6107299; WO1999059979A1 | IBM Patent Data |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| UniProt Database Links | MCRA_METBF; MCRA_METFE; MCRA_METJA; MCRA_METKA; MCRA_METTE; MCRA_METTH; MCRA_METTM; MCRA_METVA; MCRA_METVO; MCRB_METBF; MCRB_METFE; MCRB_METJA; MCRB_METTE; MCRB_METTH; MCRB_METTM; MCRB_METVA; MCRB_METVO; MCRG_METBF; MCRG_METFE; MCRG_METJA; MCRG_METTE; MCR | ChEBI |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.