CID 50933104

C16H20O4PbS2+4 — CID 50933104

IUPAC—
SMILES[H]/[O+]=C(\[OH2+])CSc1ccccc1.[H]/[O+]=C(\[OH2+])CSc1ccccc1.[Pb]
InChIInChI=1S/2C8H8O2S.Pb/c2*9-8(10)6-11-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,9,10);/p+4
InChIKeyWJWWKLUARFSUFI-UHFFFAOYSA-R
MW547.67 g/mol
LogP1.63
Rot. Bonds6

About CID 50933104

CID 50933104 (PubChem CID 50933104) has the molecular formula C16H20O4PbS2+4 and a molecular weight of 547.67 g/mol.

Molecular Properties

Compound NameCID 50933104
PubChem CID50933104
Molecular FormulaC16H20O4PbS2+4
Molecular Weight547.67 g/mol
Exact Mass548.05
IUPAC Name—
SMILES[H]/[O+]=C(\[OH2+])CSc1ccccc1.[H]/[O+]=C(\[OH2+])CSc1ccccc1.[Pb]
InChIInChI=1S/2C8H8O2S.Pb/c2*9-8(10)6-11-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,9,10);/p+4
InChIKeyWJWWKLUARFSUFI-UHFFFAOYSA-R
XLogP1.63
TPSA88.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.67
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 50933104?
The IUPAC name of CID 50933104 (CID 50933104) is not available.
What is the SMILES notation for CID 50933104?
The canonical SMILES for CID 50933104 is [H]/[O+]=C(\[OH2+])CSc1ccccc1.[H]/[O+]=C(\[OH2+])CSc1ccccc1.[Pb].
What is the InChIKey of CID 50933104?
The InChIKey is WJWWKLUARFSUFI-UHFFFAOYSA-R. The full InChI is InChI=1S/2C8H8O2S.Pb/c2*9-8(10)6-11-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,9,10);/p+4.
What are the key properties of CID 50933104?
CID 50933104 has a molecular weight of 547.67 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 50933104 is sourced from PubChem (CID 50933104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).