CID 67215110

C12H9OSSi — CID 67215110

IUPAC—
SMILES[Si]c1cccc(S)c1Oc1ccccc1
InChIInChI=1S/C12H9OSSi/c14-10-7-4-8-11(15)12(10)13-9-5-2-1-3-6-9/h1-8,14H
InChIKeyCXLPSCJQINOZPO-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.56
Rot. Bonds2

About CID 67215110

CID 67215110 (PubChem CID 67215110) has the molecular formula C12H9OSSi and a molecular weight of 229.36 g/mol.

Molecular Properties

Compound NameCID 67215110
PubChem CID67215110
Molecular FormulaC12H9OSSi
Molecular Weight229.36 g/mol
Exact Mass229.01
IUPAC Name—
SMILES[Si]c1cccc(S)c1Oc1ccccc1
InChIInChI=1S/C12H9OSSi/c14-10-7-4-8-11(15)12(10)13-9-5-2-1-3-6-9/h1-8,14H
InChIKeyCXLPSCJQINOZPO-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 67215110?
The IUPAC name of CID 67215110 (CID 67215110) is not available.
What is the SMILES notation for CID 67215110?
The canonical SMILES for CID 67215110 is [Si]c1cccc(S)c1Oc1ccccc1.
What is the InChIKey of CID 67215110?
The InChIKey is CXLPSCJQINOZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9OSSi/c14-10-7-4-8-11(15)12(10)13-9-5-2-1-3-6-9/h1-8,14H.
What are the key properties of CID 67215110?
CID 67215110 has a molecular weight of 229.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67215110 is sourced from PubChem (CID 67215110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).