zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane

C24H41O2PS2Zn — CID 101318659

IUPACzinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCc1ccc(SP([O-])([O-])=S)c(CCCCCCCCC)c1.[Zn+2]
InChIInChI=1S/C24H43O2PS2.Zn/c1-3-5-7-9-11-13-15-17-22-19-20-24(29-27(25,26)28)23(21-22)18-16-14-12-10-8-6-4-2;/h19-21H,3-18H2,1-2H3,(H2,25,26,28);/q;+2/p-2
InChIKeyMOAUVGGDKZFRPJ-UHFFFAOYSA-L
MW522.09 g/mol
LogP7.31
Rot. Bonds18

About zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane

zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 101318659) has the molecular formula C24H41O2PS2Zn and a molecular weight of 522.09 g/mol. Its IUPAC name is zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namezinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane
PubChem CID101318659
Molecular FormulaC24H41O2PS2Zn
Molecular Weight522.09 g/mol
Exact Mass520.16
IUPAC Namezinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCc1ccc(SP([O-])([O-])=S)c(CCCCCCCCC)c1.[Zn+2]
InChIInChI=1S/C24H43O2PS2.Zn/c1-3-5-7-9-11-13-15-17-22-19-20-24(29-27(25,26)28)23(21-22)18-16-14-12-10-8-6-4-2;/h19-21H,3-18H2,1-2H3,(H2,25,26,28);/q;+2/p-2
InChIKeyMOAUVGGDKZFRPJ-UHFFFAOYSA-L
XLogP7.31
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.09
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc [2,5-di(heptadecyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 101318848
zinc [2,5-di(tridecyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 101318752
bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
CID 87488768
4-nonyl-2-pentylphenol
CID 86162849
1,3-di(tetradecyl)benzene
CID 91053224
calcium 2-[(2-oxido-5-undecylphenyl)methyl]-4-undecylphenolate
CID 101275864
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
zinc 1,4-di(nonyl)-2-[oxido(disulfido)phosphaniumyl]oxybenzene
CID 101318651
zinc 1,4-dioctadecyl-2-[oxido(disulfido)phosphaniumyl]oxybenzene
CID 101318860
zinc 2-[oxido(disulfido)phosphaniumyl]oxy-1,4-di(pentadecyl)benzene
CID 101318788
1,2-dimethyl-4-octylbenzene
CID 14044616
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482

Frequently Asked Questions

What is the IUPAC name of zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane (CID 101318659) is zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane is CCCCCCCCCc1ccc(SP([O-])([O-])=S)c(CCCCCCCCC)c1.[Zn+2].
What is the InChIKey of zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is MOAUVGGDKZFRPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H43O2PS2.Zn/c1-3-5-7-9-11-13-15-17-22-19-20-24(29-27(25,26)28)23(21-22)18-16-14-12-10-8-6-4-2;/h19-21H,3-18H2,1-2H3,(H2,25,26,28);/q;+2/p-2.
What are the key properties of zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane?
zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 522.09 g/mol, XLogP of 7.31, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 101318659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).