CID 131858183

C10H10N2PbS2 — CID 131858183

IUPAC—
SMILESS=c1cccc[nH]1.S=c1cccc[nH]1.[Pb]
InChIInChI=1S/2C5H5NS.Pb/c2*7-5-3-1-2-4-6-5;/h2*1-4H,(H,6,7);
InChIKeyKCUIITYRFRLOMV-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.11
Rot. Bonds

About CID 131858183

CID 131858183 (PubChem CID 131858183) has the molecular formula C10H10N2PbS2 and a molecular weight of 429.54 g/mol.

Molecular Properties

Compound NameCID 131858183
PubChem CID131858183
Molecular FormulaC10H10N2PbS2
Molecular Weight429.54 g/mol
Exact Mass430.01
IUPAC Name—
SMILESS=c1cccc[nH]1.S=c1cccc[nH]1.[Pb]
InChIInChI=1S/2C5H5NS.Pb/c2*7-5-3-1-2-4-6-5;/h2*1-4H,(H,6,7);
InChIKeyKCUIITYRFRLOMV-UHFFFAOYSA-N
XLogP3.11
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 131858183?
The IUPAC name of CID 131858183 (CID 131858183) is not available.
What is the SMILES notation for CID 131858183?
The canonical SMILES for CID 131858183 is S=c1cccc[nH]1.S=c1cccc[nH]1.[Pb].
What is the InChIKey of CID 131858183?
The InChIKey is KCUIITYRFRLOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NS.Pb/c2*7-5-3-1-2-4-6-5;/h2*1-4H,(H,6,7);.
What are the key properties of CID 131858183?
CID 131858183 has a molecular weight of 429.54 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131858183 is sourced from PubChem (CID 131858183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).