zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)

C36H72N4PbS8Zn — CID 162392913

IUPACzinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)
SMILESCCCCN(CCCC)C(=S)S[Pb]SC(=S)N(CCCC)CCCC.CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2]
InChIInChI=1S/4C9H19NS2.Pb.Zn/c4*1-3-5-7-10(9(11)12)8-6-4-2;;/h4*3-8H2,1-2H3,(H,11,12);;/q;;;;2*+2/p-4
InChIKeyJMBQDZNXFROQBT-UHFFFAOYSA-J
MW1090.13 g/mol
LogP11.80
Rot. Bonds26

About zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)

zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate) (PubChem CID 162392913) has the molecular formula C36H72N4PbS8Zn and a molecular weight of 1090.13 g/mol. Its IUPAC name is zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate).

Molecular Properties

Compound Namezinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)
PubChem CID162392913
Molecular FormulaC36H72N4PbS8Zn
Molecular Weight1090.13 g/mol
Exact Mass1088.26
IUPAC Namezinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)
SMILESCCCCN(CCCC)C(=S)S[Pb]SC(=S)N(CCCC)CCCC.CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2]
InChIInChI=1S/4C9H19NS2.Pb.Zn/c4*1-3-5-7-10(9(11)12)8-6-4-2;;/h4*3-8H2,1-2H3,(H,11,12);;/q;;;;2*+2/p-4
InChIKeyJMBQDZNXFROQBT-UHFFFAOYSA-J
XLogP11.80
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.13
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102
CID 22164562
CID 22164562
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
sodium N,N-dihexylcarbamodithioate
CID 23671974
bis(diethylcarbamothioylsulfanyl)lead
CID 16685131
hexakis(N,N-di(tridecyl)carbamodithioate);molybdenum;sulfur monoxide
CID 19708628

Frequently Asked Questions

What is the IUPAC name of zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)?
The IUPAC name of zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate) (CID 162392913) is zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate).
What is the SMILES notation for zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)?
The canonical SMILES for zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate) is CCCCN(CCCC)C(=S)S[Pb]SC(=S)N(CCCC)CCCC.CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2].
What is the InChIKey of zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)?
The InChIKey is JMBQDZNXFROQBT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H19NS2.Pb.Zn/c4*1-3-5-7-10(9(11)12)8-6-4-2;;/h4*3-8H2,1-2H3,(H,11,12);;/q;;;;2*+2/p-4.
What are the key properties of zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)?
zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate) has a molecular weight of 1090.13 g/mol, XLogP of 11.80, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate) is sourced from PubChem (CID 162392913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).