CID 6327535

C9H14PbS- — CID 6327535

IUPAC—
SMILESC[Pb](C)C.[S-]c1ccccc1
InChIInChI=1S/C6H6S.3CH3.Pb/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H3;/p-1
InChIKeyLUODYJKXJJHNHA-UHFFFAOYSA-M
MW361.48 g/mol
LogP2.96
Rot. Bonds

About CID 6327535

CID 6327535 (PubChem CID 6327535) has the molecular formula C9H14PbS- and a molecular weight of 361.48 g/mol.

Molecular Properties

Compound NameCID 6327535
PubChem CID6327535
Molecular FormulaC9H14PbS-
Molecular Weight361.48 g/mol
Exact Mass362.06
IUPAC Name—
SMILESC[Pb](C)C.[S-]c1ccccc1
InChIInChI=1S/C6H6S.3CH3.Pb/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H3;/p-1
InChIKeyLUODYJKXJJHNHA-UHFFFAOYSA-M
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 6327535?
The IUPAC name of CID 6327535 (CID 6327535) is not available.
What is the SMILES notation for CID 6327535?
The canonical SMILES for CID 6327535 is C[Pb](C)C.[S-]c1ccccc1.
What is the InChIKey of CID 6327535?
The InChIKey is LUODYJKXJJHNHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6S.3CH3.Pb/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H3;/p-1.
What are the key properties of CID 6327535?
CID 6327535 has a molecular weight of 361.48 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6327535 is sourced from PubChem (CID 6327535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).