sulfur trioxide monohydrate
H₂O₄S·98.080 g/mol·CID 23035042
IUPAC: sulfur trioxide;hydrate
Also known as: SCHEMBL4731788, SCHEMBL4886524
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
98.080g/mol
Exact Mass
97.967380Da
Monoisotopic Mass
97.967380Da
XLogP
—
Polar Surface Area
53.2Ų
Complexity
61
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
0
Heavy Atoms
5
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 98.1 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula H₂O₄S
sulfuric acid
CID 1118 · 98.1 g/mol
CID 5152822
CID 5152822 · 98.1 g/mol
hydron;sulfate
CID 22066174 · 98.1 g/mol
hydrogen sulfate;hydron
CID 172995039 · 98.1 g/mol
dideuterio sulfate
CID 160992 · 100.1 g/mol
hydroxy hydrogen sulfite
CID 61463 · 98.1 g/mol
CID 71374
CID 71374 · 101.0 g/mol
CID 11557308
CID 11557308 · 106.1 g/mol