zinc phenylmethanesulfinate

C14H14O4S2Zn — CID 89401483

IUPACzinc phenylmethanesulfinate
SMILESO=S([O-])Cc1ccccc1.O=S([O-])Cc1ccccc1.[Zn+2]
InChIInChI=1S/2C7H8O2S.Zn/c2*8-10(9)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,8,9);/q;;+2/p-2
InChIKeyAHSIXHPQMGLVIG-UHFFFAOYSA-L
MW375.79 g/mol
LogP2.13
Rot. Bonds4

About zinc phenylmethanesulfinate

zinc phenylmethanesulfinate (PubChem CID 89401483) has the molecular formula C14H14O4S2Zn and a molecular weight of 375.79 g/mol. Its IUPAC name is zinc phenylmethanesulfinate.

Molecular Properties

Compound Namezinc phenylmethanesulfinate
PubChem CID89401483
Molecular FormulaC14H14O4S2Zn
Molecular Weight375.79 g/mol
Exact Mass373.96
IUPAC Namezinc phenylmethanesulfinate
SMILESO=S([O-])Cc1ccccc1.O=S([O-])Cc1ccccc1.[Zn+2]
InChIInChI=1S/2C7H8O2S.Zn/c2*8-10(9)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,8,9);/q;;+2/p-2
InChIKeyAHSIXHPQMGLVIG-UHFFFAOYSA-L
XLogP2.13
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc phenylmethanesulfinate?
The IUPAC name of zinc phenylmethanesulfinate (CID 89401483) is zinc phenylmethanesulfinate.
What is the SMILES notation for zinc phenylmethanesulfinate?
The canonical SMILES for zinc phenylmethanesulfinate is O=S([O-])Cc1ccccc1.O=S([O-])Cc1ccccc1.[Zn+2].
What is the InChIKey of zinc phenylmethanesulfinate?
The InChIKey is AHSIXHPQMGLVIG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O2S.Zn/c2*8-10(9)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,8,9);/q;;+2/p-2.
What are the key properties of zinc phenylmethanesulfinate?
zinc phenylmethanesulfinate has a molecular weight of 375.79 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc phenylmethanesulfinate is sourced from PubChem (CID 89401483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).