phenyl benzenesulfonylmethanesulfinate

C13H12O4S2 — CID 20702923

IUPACphenyl benzenesulfonylmethanesulfinate
SMILESO=S(CS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H12O4S2/c14-18(17-12-7-3-1-4-8-12)11-19(15,16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyCPXMVBSUEIRAFY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.16
Rot. Bonds5

About phenyl benzenesulfonylmethanesulfinate

phenyl benzenesulfonylmethanesulfinate (PubChem CID 20702923) has the molecular formula C13H12O4S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is phenyl benzenesulfonylmethanesulfinate.

Molecular Properties

Compound Namephenyl benzenesulfonylmethanesulfinate
PubChem CID20702923
Molecular FormulaC13H12O4S2
Molecular Weight296.37 g/mol
Exact Mass296.02
IUPAC Namephenyl benzenesulfonylmethanesulfinate
SMILESO=S(CS(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H12O4S2/c14-18(17-12-7-3-1-4-8-12)11-19(15,16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyCPXMVBSUEIRAFY-UHFFFAOYSA-N
XLogP2.16
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl benzenesulfonylmethanesulfinate?
The IUPAC name of phenyl benzenesulfonylmethanesulfinate (CID 20702923) is phenyl benzenesulfonylmethanesulfinate.
What is the SMILES notation for phenyl benzenesulfonylmethanesulfinate?
The canonical SMILES for phenyl benzenesulfonylmethanesulfinate is O=S(CS(=O)(=O)c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl benzenesulfonylmethanesulfinate?
The InChIKey is CPXMVBSUEIRAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S2/c14-18(17-12-7-3-1-4-8-12)11-19(15,16)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of phenyl benzenesulfonylmethanesulfinate?
phenyl benzenesulfonylmethanesulfinate has a molecular weight of 296.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl benzenesulfonylmethanesulfinate is sourced from PubChem (CID 20702923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).