You need to sign in or sign up before continuing.
Mesylate | SBID = 1812 | Compound |
Custom Molecule
Structure
Molecular Properties
Interactions: |
5
|
PubChem TPSA/Å2: |
|
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
|
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
-1.0 |
Number of H-Bond Donors: |
0.0 |
Number of H-Bond Acceptors: |
3.0 |
Number of Stereogenic Bonds (E/Z): |
|
Number of Stereogenic Atoms (R/S): |
|
3D Volume/Å3: |
|
Sum Formula: |
CH3O3S- |
M / g/mol: |
95.09772 |
Complexity: |
|
Number of Conformers: |
|
Identifiers
-
Tags:
anion, typical guest, charged
-
Name:
Mesylate
-
Preferred Abbreviation:
Mesylate
-
IUPAC Name:
-
CAS:
-
CID:
-738
-
InChiKey:
AFVFQIVMOAPDHO-UHFFFAOYSA-M
-
InChi:
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1
-
CanoSmiles:
[O-]S(=O)(=O)C
-
IsoSmiles:
CS(=O)([O-])=O