benzylsulfanylmethylbenzene;iodopalladium(1+)

C14H13IPdS — CID 15967544

IUPACbenzylsulfanylmethylbenzene;iodopalladium(1+)
SMILES[Pd+]I.[c-]1cccc(CSCc2ccccc2)c1
InChIInChI=1S/C14H13S.HI.Pd/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;/h1-5,7-10H,11-12H2;1H;/q-1;;+2/p-1
InChIKeyZBQWSNLOLOMBNX-UHFFFAOYSA-M
MW446.65 g/mol
LogP4.80
Rot. Bonds4

About benzylsulfanylmethylbenzene;iodopalladium(1+)

benzylsulfanylmethylbenzene;iodopalladium(1+) (PubChem CID 15967544) has the molecular formula C14H13IPdS and a molecular weight of 446.65 g/mol. Its IUPAC name is benzylsulfanylmethylbenzene;iodopalladium(1+).

Molecular Properties

Compound Namebenzylsulfanylmethylbenzene;iodopalladium(1+)
PubChem CID15967544
Molecular FormulaC14H13IPdS
Molecular Weight446.65 g/mol
Exact Mass445.88
IUPAC Namebenzylsulfanylmethylbenzene;iodopalladium(1+)
SMILES[Pd+]I.[c-]1cccc(CSCc2ccccc2)c1
InChIInChI=1S/C14H13S.HI.Pd/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;/h1-5,7-10H,11-12H2;1H;/q-1;;+2/p-1
InChIKeyZBQWSNLOLOMBNX-UHFFFAOYSA-M
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.65
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)
CID 10951084
iodomethylsulfanylmethylbenzene
CID 12664832
[4-(benzylsulfanylmethyl)phenyl]oxidanium
CID 102123467
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
bromopalladium(1+);2-phenylethanamine;triphenylphosphane
CID 15973318
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
dizinc;2-phenylethylbenzene;propane
CID 177427597
carbanide;ethane;ethylbenzene;yttrium
CID 154652507
3-(benzylsulfanylmethyl)pyridine
CID 3025143
acetic acid;benzylsulfanylmethylbenzene;guanidine
CID 174558174
2-fluoroethylsulfanylmethylbenzene
CID 15639805

Frequently Asked Questions

What is the IUPAC name of benzylsulfanylmethylbenzene;iodopalladium(1+)?
The IUPAC name of benzylsulfanylmethylbenzene;iodopalladium(1+) (CID 15967544) is benzylsulfanylmethylbenzene;iodopalladium(1+).
What is the SMILES notation for benzylsulfanylmethylbenzene;iodopalladium(1+)?
The canonical SMILES for benzylsulfanylmethylbenzene;iodopalladium(1+) is [Pd+]I.[c-]1cccc(CSCc2ccccc2)c1.
What is the InChIKey of benzylsulfanylmethylbenzene;iodopalladium(1+)?
The InChIKey is ZBQWSNLOLOMBNX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13S.HI.Pd/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;/h1-5,7-10H,11-12H2;1H;/q-1;;+2/p-1.
What are the key properties of benzylsulfanylmethylbenzene;iodopalladium(1+)?
benzylsulfanylmethylbenzene;iodopalladium(1+) has a molecular weight of 446.65 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanylmethylbenzene;iodopalladium(1+) is sourced from PubChem (CID 15967544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).