phenyl phenylmethanesulfinate

C13H12O2S — CID 57132104

IUPACphenyl phenylmethanesulfinate
SMILESO=S(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H12O2S/c14-16(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyWQMHZPYJXNVOCJ-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.93
Rot. Bonds4

About phenyl phenylmethanesulfinate

phenyl phenylmethanesulfinate (PubChem CID 57132104) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is phenyl phenylmethanesulfinate.

Molecular Properties

Compound Namephenyl phenylmethanesulfinate
PubChem CID57132104
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Namephenyl phenylmethanesulfinate
SMILESO=S(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H12O2S/c14-16(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyWQMHZPYJXNVOCJ-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl phenylmethanesulfinate?
The IUPAC name of phenyl phenylmethanesulfinate (CID 57132104) is phenyl phenylmethanesulfinate.
What is the SMILES notation for phenyl phenylmethanesulfinate?
The canonical SMILES for phenyl phenylmethanesulfinate is O=S(Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl phenylmethanesulfinate?
The InChIKey is WQMHZPYJXNVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c14-16(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of phenyl phenylmethanesulfinate?
phenyl phenylmethanesulfinate has a molecular weight of 232.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl phenylmethanesulfinate is sourced from PubChem (CID 57132104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).