phenyl sulfino carbonate

C7H6O5S — CID 56974658

IUPACphenyl sulfino carbonate
SMILESO=C(Oc1ccccc1)OS(=O)O
InChIInChI=1S/C7H6O5S/c8-7(12-13(9)10)11-6-4-2-1-3-5-6/h1-5H,(H,9,10)
InChIKeyXFXYLJPGSZUMIL-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.34
Rot. Bonds2

About phenyl sulfino carbonate

phenyl sulfino carbonate (PubChem CID 56974658) has the molecular formula C7H6O5S and a molecular weight of 202.19 g/mol. Its IUPAC name is phenyl sulfino carbonate.

Molecular Properties

Compound Namephenyl sulfino carbonate
PubChem CID56974658
Molecular FormulaC7H6O5S
Molecular Weight202.19 g/mol
Exact Mass201.99
IUPAC Namephenyl sulfino carbonate
SMILESO=C(Oc1ccccc1)OS(=O)O
InChIInChI=1S/C7H6O5S/c8-7(12-13(9)10)11-6-4-2-1-3-5-6/h1-5H,(H,9,10)
InChIKeyXFXYLJPGSZUMIL-UHFFFAOYSA-N
XLogP1.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl sulfino carbonate?
The IUPAC name of phenyl sulfino carbonate (CID 56974658) is phenyl sulfino carbonate.
What is the SMILES notation for phenyl sulfino carbonate?
The canonical SMILES for phenyl sulfino carbonate is O=C(Oc1ccccc1)OS(=O)O.
What is the InChIKey of phenyl sulfino carbonate?
The InChIKey is XFXYLJPGSZUMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5S/c8-7(12-13(9)10)11-6-4-2-1-3-5-6/h1-5H,(H,9,10).
What are the key properties of phenyl sulfino carbonate?
phenyl sulfino carbonate has a molecular weight of 202.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl sulfino carbonate is sourced from PubChem (CID 56974658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).