bis(dimethylcarbamothioylsulfanyl)lead

C6H12N2PbS4 — CID 519623

IUPACbis(dimethylcarbamothioylsulfanyl)lead
SMILESCN(C)C(=S)S[Pb]SC(=S)N(C)C
InChIInChI=1S/2C3H7NS2.Pb/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyQGTHALAWFUFVCU-UHFFFAOYSA-L
MW447.64 g/mol
LogP1.68
Rot. Bonds2

About bis(dimethylcarbamothioylsulfanyl)lead

bis(dimethylcarbamothioylsulfanyl)lead (PubChem CID 519623) has the molecular formula C6H12N2PbS4 and a molecular weight of 447.64 g/mol. Its IUPAC name is bis(dimethylcarbamothioylsulfanyl)lead.

Molecular Properties

Compound Namebis(dimethylcarbamothioylsulfanyl)lead
PubChem CID519623
Molecular FormulaC6H12N2PbS4
Molecular Weight447.64 g/mol
Exact Mass447.96
IUPAC Namebis(dimethylcarbamothioylsulfanyl)lead
SMILESCN(C)C(=S)S[Pb]SC(=S)N(C)C
InChIInChI=1S/2C3H7NS2.Pb/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyQGTHALAWFUFVCU-UHFFFAOYSA-L
XLogP1.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.64
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(dimethylcarbamothioylsulfanyl)lead?
The IUPAC name of bis(dimethylcarbamothioylsulfanyl)lead (CID 519623) is bis(dimethylcarbamothioylsulfanyl)lead.
What is the SMILES notation for bis(dimethylcarbamothioylsulfanyl)lead?
The canonical SMILES for bis(dimethylcarbamothioylsulfanyl)lead is CN(C)C(=S)S[Pb]SC(=S)N(C)C.
What is the InChIKey of bis(dimethylcarbamothioylsulfanyl)lead?
The InChIKey is QGTHALAWFUFVCU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H7NS2.Pb/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2.
What are the key properties of bis(dimethylcarbamothioylsulfanyl)lead?
bis(dimethylcarbamothioylsulfanyl)lead has a molecular weight of 447.64 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylcarbamothioylsulfanyl)lead is sourced from PubChem (CID 519623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).