CID 68723764

C12H6O2SSi2 — CID 68723764

IUPAC—
SMILESO=S1(=O)c2ccccc2-c2c1ccc([Si])c2[Si]
InChIInChI=1S/C12H6O2SSi2/c13-15(14)8-4-2-1-3-7(8)11-9(15)5-6-10(16)12(11)17/h1-6H
InChIKeyHWNLALGNMFPLHE-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.09
Rot. Bonds

About CID 68723764

CID 68723764 (PubChem CID 68723764) has the molecular formula C12H6O2SSi2 and a molecular weight of 270.42 g/mol.

Molecular Properties

Compound NameCID 68723764
PubChem CID68723764
Molecular FormulaC12H6O2SSi2
Molecular Weight270.42 g/mol
Exact Mass269.96
IUPAC Name—
SMILESO=S1(=O)c2ccccc2-c2c1ccc([Si])c2[Si]
InChIInChI=1S/C12H6O2SSi2/c13-15(14)8-4-2-1-3-7(8)11-9(15)5-6-10(16)12(11)17/h1-6H
InChIKeyHWNLALGNMFPLHE-UHFFFAOYSA-N
XLogP0.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 68723764?
The IUPAC name of CID 68723764 (CID 68723764) is not available.
What is the SMILES notation for CID 68723764?
The canonical SMILES for CID 68723764 is O=S1(=O)c2ccccc2-c2c1ccc([Si])c2[Si].
What is the InChIKey of CID 68723764?
The InChIKey is HWNLALGNMFPLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O2SSi2/c13-15(14)8-4-2-1-3-7(8)11-9(15)5-6-10(16)12(11)17/h1-6H.
What are the key properties of CID 68723764?
CID 68723764 has a molecular weight of 270.42 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68723764 is sourced from PubChem (CID 68723764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).