lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)

C18H20N2O2PbS2 — CID 6095733

IUPAClead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)
SMILESCc1ccc(NC(=O)C[S-])cc1.Cc1ccc(NC(=O)C[S-])cc1.[Pb+2]
InChIInChI=1S/2C9H11NOS.Pb/c2*1-7-2-4-8(5-3-7)10-9(11)6-12;/h2*2-5,12H,6H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeyODVHZUXATKICCO-UHFFFAOYSA-L
MW567.70 g/mol
LogP2.58
Rot. Bonds4

About lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)

lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate) (PubChem CID 6095733) has the molecular formula C18H20N2O2PbS2 and a molecular weight of 567.70 g/mol. Its IUPAC name is lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate).

Molecular Properties

Compound Namelead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)
PubChem CID6095733
Molecular FormulaC18H20N2O2PbS2
Molecular Weight567.70 g/mol
Exact Mass568.07
IUPAC Namelead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)
SMILESCc1ccc(NC(=O)C[S-])cc1.Cc1ccc(NC(=O)C[S-])cc1.[Pb+2]
InChIInChI=1S/2C9H11NOS.Pb/c2*1-7-2-4-8(5-3-7)10-9(11)6-12;/h2*2-5,12H,6H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeyODVHZUXATKICCO-UHFFFAOYSA-L
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.70
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
N-(4-methylphenyl)acetamide
CID 7684
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(4-methylphenyl)pentanamide
CID 3662375
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-bromo-N-(4-methylphenyl)-3-oxobutanamide
CID 15567330
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119

Frequently Asked Questions

What is the IUPAC name of lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)?
The IUPAC name of lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate) (CID 6095733) is lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate).
What is the SMILES notation for lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)?
The canonical SMILES for lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate) is Cc1ccc(NC(=O)C[S-])cc1.Cc1ccc(NC(=O)C[S-])cc1.[Pb+2].
What is the InChIKey of lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)?
The InChIKey is ODVHZUXATKICCO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H11NOS.Pb/c2*1-7-2-4-8(5-3-7)10-9(11)6-12;/h2*2-5,12H,6H2,1H3,(H,10,11);/q;;+2/p-2.
What are the key properties of lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)?
lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate) has a molecular weight of 567.70 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate) is sourced from PubChem (CID 6095733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).