1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)

C22H21ClPdS2 — CID 10951084

IUPAC1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)
SMILESCl[Pd+].[c-]1c(CSCc2ccccc2)cccc1CSCc1ccccc1
InChIInChI=1S/C22H21S2.ClH.Pd/c1-3-8-19(9-4-1)15-23-17-21-12-7-13-22(14-21)18-24-16-20-10-5-2-6-11-20;;/h1-13H,15-18H2;1H;/q-1;;+2/p-1
InChIKeyLAMIVVHPJWJLAJ-UHFFFAOYSA-M
MW491.42 g/mol
LogP7.04
Rot. Bonds8

About 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)

1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+) (PubChem CID 10951084) has the molecular formula C22H21ClPdS2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+).

Molecular Properties

Compound Name1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)
PubChem CID10951084
Molecular FormulaC22H21ClPdS2
Molecular Weight491.42 g/mol
Exact Mass489.98
IUPAC Name1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)
SMILESCl[Pd+].[c-]1c(CSCc2ccccc2)cccc1CSCc1ccccc1
InChIInChI=1S/C22H21S2.ClH.Pd/c1-3-8-19(9-4-1)15-23-17-21-12-7-13-22(14-21)18-24-16-20-10-5-2-6-11-20;;/h1-13H,15-18H2;1H;/q-1;;+2/p-1
InChIKeyLAMIVVHPJWJLAJ-UHFFFAOYSA-M
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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iodomethylsulfanylmethylbenzene
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5-(benzylsulfanylmethyl)-2-chloro-1,3-thiazole
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benzyl thiohypochlorite
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4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
3-(benzylsulfanylmethyl)pyridine
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acetic acid;benzylsulfanylmethylbenzene;guanidine
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)?
The IUPAC name of 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+) (CID 10951084) is 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+).
What is the SMILES notation for 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)?
The canonical SMILES for 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+) is Cl[Pd+].[c-]1c(CSCc2ccccc2)cccc1CSCc1ccccc1.
What is the InChIKey of 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)?
The InChIKey is LAMIVVHPJWJLAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21S2.ClH.Pd/c1-3-8-19(9-4-1)15-23-17-21-12-7-13-22(14-21)18-24-16-20-10-5-2-6-11-20;;/h1-13H,15-18H2;1H;/q-1;;+2/p-1.
What are the key properties of 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)?
1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+) has a molecular weight of 491.42 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(benzylsulfanylmethyl)benzene-2-ide;chloropalladium(1+) is sourced from PubChem (CID 10951084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).