CID 16693640

C6H4OSSb — CID 16693640

IUPAC—
SMILESc1ccc2c(c1)O[Sb]S2
InChIInChI=1S/C6H6OS.Sb/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;/q;+2/p-2
InChIKeyVXTRODCODAQEAD-UHFFFAOYSA-L
MW245.92 g/mol
LogP1.71
Rot. Bonds

About CID 16693640

CID 16693640 (PubChem CID 16693640) has the molecular formula C6H4OSSb and a molecular weight of 245.92 g/mol.

Molecular Properties

Compound NameCID 16693640
PubChem CID16693640
Molecular FormulaC6H4OSSb
Molecular Weight245.92 g/mol
Exact Mass244.90
IUPAC Name—
SMILESc1ccc2c(c1)O[Sb]S2
InChIInChI=1S/C6H6OS.Sb/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;/q;+2/p-2
InChIKeyVXTRODCODAQEAD-UHFFFAOYSA-L
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.92
LogP ≤ 51.71
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 16693640?
The IUPAC name of CID 16693640 (CID 16693640) is not available.
What is the SMILES notation for CID 16693640?
The canonical SMILES for CID 16693640 is c1ccc2c(c1)O[Sb]S2.
What is the InChIKey of CID 16693640?
The InChIKey is VXTRODCODAQEAD-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6OS.Sb/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;/q;+2/p-2.
What are the key properties of CID 16693640?
CID 16693640 has a molecular weight of 245.92 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16693640 is sourced from PubChem (CID 16693640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).