bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)

C16H36O6P2PbS2 — CID 88816119

IUPACbis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
SMILESCCCCOP([O-])(=S)OCCCC.CCCCOP([O-])(=S)OCCCC.[Pb+2]
InChIInChI=1S/2C8H19O3PS.Pb/c2*1-3-5-7-10-12(9,13)11-8-6-4-2;/h2*3-8H2,1-2H3,(H,9,13);/q;;+2/p-2
InChIKeyXGSNMTKSYRTWLP-UHFFFAOYSA-L
MW657.74 g/mol
LogP4.03
Rot. Bonds16

About bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)

bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+) (PubChem CID 88816119) has the molecular formula C16H36O6P2PbS2 and a molecular weight of 657.74 g/mol. Its IUPAC name is bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+).

Molecular Properties

Compound Namebis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
PubChem CID88816119
Molecular FormulaC16H36O6P2PbS2
Molecular Weight657.74 g/mol
Exact Mass658.12
IUPAC Namebis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
SMILESCCCCOP([O-])(=S)OCCCC.CCCCOP([O-])(=S)OCCCC.[Pb+2]
InChIInChI=1S/2C8H19O3PS.Pb/c2*1-3-5-7-10-12(9,13)11-8-6-4-2;/h2*3-8H2,1-2H3,(H,9,13);/q;;+2/p-2
InChIKeyXGSNMTKSYRTWLP-UHFFFAOYSA-L
XLogP4.03
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane
CID 154398199
potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
CID 23711665
2-[hexadecoxy(oxido)phosphinothioyl]oxyethyl-trimethylazanium;methane
CID 160707293
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
zinc octoxy-dioxido-sulfanylidene-λ5-phosphane
CID 157333832
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 6612212
magnesium dibutyl phosphate
CID 21400580
butyl phosphate;titanium(2+)
CID 141032733
dibutoxy-(chloromethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 165364450
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
CID 23412944
butyl propyl phosphate;nickel
CID 88805143

Frequently Asked Questions

What is the IUPAC name of bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)?
The IUPAC name of bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+) (CID 88816119) is bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+).
What is the SMILES notation for bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)?
The canonical SMILES for bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+) is CCCCOP([O-])(=S)OCCCC.CCCCOP([O-])(=S)OCCCC.[Pb+2].
What is the InChIKey of bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)?
The InChIKey is XGSNMTKSYRTWLP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H19O3PS.Pb/c2*1-3-5-7-10-12(9,13)11-8-6-4-2;/h2*3-8H2,1-2H3,(H,9,13);/q;;+2/p-2.
What are the key properties of bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)?
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+) has a molecular weight of 657.74 g/mol, XLogP of 4.03, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+) is sourced from PubChem (CID 88816119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).