bis(phenylcarbamothioylsulfanyl)lead

C14H12N2PbS4 — CID 141142278

IUPACbis(phenylcarbamothioylsulfanyl)lead
SMILESS=C(Nc1ccccc1)S[Pb]SC(=S)Nc1ccccc1
InChIInChI=1S/2C7H7NS2.Pb/c2*9-7(10)8-6-4-2-1-3-5-6;/h2*1-5H,(H2,8,9,10);/q;;+2/p-2
InChIKeyXEQLMQIQSUKLMP-UHFFFAOYSA-L
MW543.73 g/mol
LogP4.78
Rot. Bonds4

About bis(phenylcarbamothioylsulfanyl)lead

bis(phenylcarbamothioylsulfanyl)lead (PubChem CID 141142278) has the molecular formula C14H12N2PbS4 and a molecular weight of 543.73 g/mol. Its IUPAC name is bis(phenylcarbamothioylsulfanyl)lead.

Molecular Properties

Compound Namebis(phenylcarbamothioylsulfanyl)lead
PubChem CID141142278
Molecular FormulaC14H12N2PbS4
Molecular Weight543.73 g/mol
Exact Mass543.96
IUPAC Namebis(phenylcarbamothioylsulfanyl)lead
SMILESS=C(Nc1ccccc1)S[Pb]SC(=S)Nc1ccccc1
InChIInChI=1S/2C7H7NS2.Pb/c2*9-7(10)8-6-4-2-1-3-5-6;/h2*1-5H,(H2,8,9,10);/q;;+2/p-2
InChIKeyXEQLMQIQSUKLMP-UHFFFAOYSA-L
XLogP4.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.73
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(carbamoylamino) N-phenylcarbamodithioate
CID 174413845
tert-butyl N-phenylcarbamodithioate
CID 100915333
[5-(phenylcarbamothioylsulfanyl)-1,3,4-thiadiazol-2-yl] N-phenylcarbamodithioate
CID 13071639
phenylcarbamodithioic acid;hydrochloride
CID 141118460
(E)-2-methyl-N,3-diphenylprop-2-enethioamide
CID 13266209
sodium;hydride;phenylthiourea
CID 174376840
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
heptyl N-phenylcarbamodithioate
CID 86226187
nonyl N-phenylcarbamodithioate
CID 12948617
2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
CID 44665432
phenylurea;thiourea
CID 160770333
1-phenyl-3-thiophen-2-ylthiourea
CID 22411779

Frequently Asked Questions

What is the IUPAC name of bis(phenylcarbamothioylsulfanyl)lead?
The IUPAC name of bis(phenylcarbamothioylsulfanyl)lead (CID 141142278) is bis(phenylcarbamothioylsulfanyl)lead.
What is the SMILES notation for bis(phenylcarbamothioylsulfanyl)lead?
The canonical SMILES for bis(phenylcarbamothioylsulfanyl)lead is S=C(Nc1ccccc1)S[Pb]SC(=S)Nc1ccccc1.
What is the InChIKey of bis(phenylcarbamothioylsulfanyl)lead?
The InChIKey is XEQLMQIQSUKLMP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H7NS2.Pb/c2*9-7(10)8-6-4-2-1-3-5-6;/h2*1-5H,(H2,8,9,10);/q;;+2/p-2.
What are the key properties of bis(phenylcarbamothioylsulfanyl)lead?
bis(phenylcarbamothioylsulfanyl)lead has a molecular weight of 543.73 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylcarbamothioylsulfanyl)lead is sourced from PubChem (CID 141142278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).