Chemical Name - Methane Sulphonic Acid
Mol Weight - 96.1058
Smiles - CS(O)(=O)=O
InChI - AFVFQIVMOAPDHO-UHFFFAOYSA-N
InChIKey - InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
Mol Weight - 96.1058
Smiles - CS(O)(=O)=O
InChI - AFVFQIVMOAPDHO-UHFFFAOYSA-N
InChIKey - InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
| Property Value | |
| Mol Name | Methane Sulphonic Acid |
| Molweight | 96.1058 |
| Monoisotopic Mass | 95.988115 |
| Clogp | -1.8201 |
| Clogs | 0.024 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 60.69 |
| Relative Psa | 0.68677 |
| Polar Surface Area | 62.75 |
| Druglikeness | -0.22354 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Complexity | 0.89588 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 1 |
| Acidic Oxygens | 1 |
| Smiles | CS(O)(=O)=O |
| InChIKey | InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) |
| InChI | AFVFQIVMOAPDHO-UHFFFAOYSA-N |
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1 - Methane Sulphonic Acid
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1 - Methane Sulphonic Acid
2 - Methane Sulphonic Acid
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