benzylsulfanyl(triphenyl)plumbane

C25H22PbS — CID 16682798

IUPACbenzylsulfanyl(triphenyl)plumbane
SMILESc1ccc(CS[Pb](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H8S.3C6H5.Pb/c8-6-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5,8H,6H2;3*1-5H;/q;;;;+1/p-1
InChIKeyBJWMCPHNTMUBNB-UHFFFAOYSA-M
MW561.72 g/mol
LogP4.59
Rot. Bonds6

About benzylsulfanyl(triphenyl)plumbane

benzylsulfanyl(triphenyl)plumbane (PubChem CID 16682798) has the molecular formula C25H22PbS and a molecular weight of 561.72 g/mol. Its IUPAC name is benzylsulfanyl(triphenyl)plumbane.

Molecular Properties

Compound Namebenzylsulfanyl(triphenyl)plumbane
PubChem CID16682798
Molecular FormulaC25H22PbS
Molecular Weight561.72 g/mol
Exact Mass562.12
IUPAC Namebenzylsulfanyl(triphenyl)plumbane
SMILESc1ccc(CS[Pb](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H8S.3C6H5.Pb/c8-6-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5,8H,6H2;3*1-5H;/q;;;;+1/p-1
InChIKeyBJWMCPHNTMUBNB-UHFFFAOYSA-M
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.72
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzylsulfanyl(triphenyl)plumbane?
The IUPAC name of benzylsulfanyl(triphenyl)plumbane (CID 16682798) is benzylsulfanyl(triphenyl)plumbane.
What is the SMILES notation for benzylsulfanyl(triphenyl)plumbane?
The canonical SMILES for benzylsulfanyl(triphenyl)plumbane is c1ccc(CS[Pb](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzylsulfanyl(triphenyl)plumbane?
The InChIKey is BJWMCPHNTMUBNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8S.3C6H5.Pb/c8-6-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5,8H,6H2;3*1-5H;/q;;;;+1/p-1.
What are the key properties of benzylsulfanyl(triphenyl)plumbane?
benzylsulfanyl(triphenyl)plumbane has a molecular weight of 561.72 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanyl(triphenyl)plumbane is sourced from PubChem (CID 16682798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).