CID 145489574

C19H21PbS2 — CID 145489574

IUPAC—
SMILESCSc1ccc(/C=C/C=C/c2ccc(SC)cc2)cc1.C[Pb]
InChIInChI=1S/C18H18S2.CH3.Pb/c1-19-17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(20-2)14-10-16;;/h3-14H,1-2H3;1H3;/b5-3+,6-4+;;
InChIKeyFECCURVGBCTQQC-ZOGBMKMPSA-N
MW520.71 g/mol
LogP6.06
Rot. Bonds5

About CID 145489574

CID 145489574 (PubChem CID 145489574) has the molecular formula C19H21PbS2 and a molecular weight of 520.71 g/mol.

Molecular Properties

Compound NameCID 145489574
PubChem CID145489574
Molecular FormulaC19H21PbS2
Molecular Weight520.71 g/mol
Exact Mass521.09
IUPAC Name—
SMILESCSc1ccc(/C=C/C=C/c2ccc(SC)cc2)cc1.C[Pb]
InChIInChI=1S/C18H18S2.CH3.Pb/c1-19-17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(20-2)14-10-16;;/h3-14H,1-2H3;1H3;/b5-3+,6-4+;;
InChIKeyFECCURVGBCTQQC-ZOGBMKMPSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.71
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145489574?
The IUPAC name of CID 145489574 (CID 145489574) is not available.
What is the SMILES notation for CID 145489574?
The canonical SMILES for CID 145489574 is CSc1ccc(/C=C/C=C/c2ccc(SC)cc2)cc1.C[Pb].
What is the InChIKey of CID 145489574?
The InChIKey is FECCURVGBCTQQC-ZOGBMKMPSA-N. The full InChI is InChI=1S/C18H18S2.CH3.Pb/c1-19-17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(20-2)14-10-16;;/h3-14H,1-2H3;1H3;/b5-3+,6-4+;;.
What are the key properties of CID 145489574?
CID 145489574 has a molecular weight of 520.71 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145489574 is sourced from PubChem (CID 145489574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).