CID 71773835

C8H6BO2S2 — CID 71773835

IUPAC—
SMILESO[B]Oc1ccc(-c2cccs2)s1
InChIInChI=1S/C8H6BO2S2/c10-9-11-8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10H
InChIKeyUEFQVEUDLKITKG-UHFFFAOYSA-N
MW209.08 g/mol
LogP2.38
Rot. Bonds3

About CID 71773835

CID 71773835 (PubChem CID 71773835) has the molecular formula C8H6BO2S2 and a molecular weight of 209.08 g/mol.

Molecular Properties

Compound NameCID 71773835
PubChem CID71773835
Molecular FormulaC8H6BO2S2
Molecular Weight209.08 g/mol
Exact Mass208.99
IUPAC Name—
SMILESO[B]Oc1ccc(-c2cccs2)s1
InChIInChI=1S/C8H6BO2S2/c10-9-11-8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10H
InChIKeyUEFQVEUDLKITKG-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 71773835?
The IUPAC name of CID 71773835 (CID 71773835) is not available.
What is the SMILES notation for CID 71773835?
The canonical SMILES for CID 71773835 is O[B]Oc1ccc(-c2cccs2)s1.
What is the InChIKey of CID 71773835?
The InChIKey is UEFQVEUDLKITKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BO2S2/c10-9-11-8-4-3-7(13-8)6-2-1-5-12-6/h1-5,10H.
What are the key properties of CID 71773835?
CID 71773835 has a molecular weight of 209.08 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71773835 is sourced from PubChem (CID 71773835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).