bis(nonoxycarbothioylsulfanyl)lead

C20H38O2PbS4 — CID 14619590

IUPACbis(nonoxycarbothioylsulfanyl)lead
SMILESCCCCCCCCCOC(=S)S[Pb]SC(=S)OCCCCCCCCC
InChIInChI=1S/2C10H20OS2.Pb/c2*1-2-3-4-5-6-7-8-9-11-10(12)13;/h2*2-9H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyYLEUZBHSKGLVEF-UHFFFAOYSA-L
MW645.99 g/mol
LogP8.09
Rot. Bonds18

About bis(nonoxycarbothioylsulfanyl)lead

bis(nonoxycarbothioylsulfanyl)lead (PubChem CID 14619590) has the molecular formula C20H38O2PbS4 and a molecular weight of 645.99 g/mol. Its IUPAC name is bis(nonoxycarbothioylsulfanyl)lead.

Molecular Properties

Compound Namebis(nonoxycarbothioylsulfanyl)lead
PubChem CID14619590
Molecular FormulaC20H38O2PbS4
Molecular Weight645.99 g/mol
Exact Mass646.15
IUPAC Namebis(nonoxycarbothioylsulfanyl)lead
SMILESCCCCCCCCCOC(=S)S[Pb]SC(=S)OCCCCCCCCC
InChIInChI=1S/2C10H20OS2.Pb/c2*1-2-3-4-5-6-7-8-9-11-10(12)13;/h2*2-9H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyYLEUZBHSKGLVEF-UHFFFAOYSA-L
XLogP8.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.99
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

O-octyl octylsulfanylmethanethioate
CID 5142489
O-tridecyl tridecylsulfanylmethanethioate
CID 138471663
O-octadecyl trifluoromethylsulfanylmethanethioate
CID 102114582
O-tridecyl ethanethioate
CID 140979354
dodecoxymethanedithioic acid;undecoxymethanedithioic acid
CID 87409358
CID 54759029
CID 54759029
sodium;bis(O-dodecyl carbamothioate);hydride
CID 175497862
O-dodecyl heptanethioate
CID 140990759
O-heptadecyl pentanethioate
CID 139806129
CID 87972145
CID 87972145
sodium;bis(O-hexyl carbamothioate);hydride
CID 173450210
O-undecyl N-methylcarbamothioate
CID 3037483

Frequently Asked Questions

What is the IUPAC name of bis(nonoxycarbothioylsulfanyl)lead?
The IUPAC name of bis(nonoxycarbothioylsulfanyl)lead (CID 14619590) is bis(nonoxycarbothioylsulfanyl)lead.
What is the SMILES notation for bis(nonoxycarbothioylsulfanyl)lead?
The canonical SMILES for bis(nonoxycarbothioylsulfanyl)lead is CCCCCCCCCOC(=S)S[Pb]SC(=S)OCCCCCCCCC.
What is the InChIKey of bis(nonoxycarbothioylsulfanyl)lead?
The InChIKey is YLEUZBHSKGLVEF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20OS2.Pb/c2*1-2-3-4-5-6-7-8-9-11-10(12)13;/h2*2-9H2,1H3,(H,12,13);/q;;+2/p-2.
What are the key properties of bis(nonoxycarbothioylsulfanyl)lead?
bis(nonoxycarbothioylsulfanyl)lead has a molecular weight of 645.99 g/mol, XLogP of 8.09, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nonoxycarbothioylsulfanyl)lead is sourced from PubChem (CID 14619590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).