hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane

C60H123O2PS2 — CID 161189025

IUPAChydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(O)(=S)SCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H123O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-62-63(61,64)65-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3,(H,61,64)
InChIKeyZPWMLWHQDBQRAL-UHFFFAOYSA-N
MW971.75 g/mol
LogP23.84
Rot. Bonds60

About hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane

hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane (PubChem CID 161189025) has the molecular formula C60H123O2PS2 and a molecular weight of 971.75 g/mol. Its IUPAC name is hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
PubChem CID161189025
Molecular FormulaC60H123O2PS2
Molecular Weight971.75 g/mol
Exact Mass970.87
IUPAC Namehydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(O)(=S)SCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C60H123O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-62-63(61,64)65-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3,(H,61,64)
InChIKeyZPWMLWHQDBQRAL-UHFFFAOYSA-N
XLogP23.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds60
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.75
LogP ≤ 523.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
CID 141192629
CID 141192629
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944

Frequently Asked Questions

What is the IUPAC name of hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane?
The IUPAC name of hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane (CID 161189025) is hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane.
What is the SMILES notation for hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane?
The canonical SMILES for hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(O)(=S)SCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane?
The InChIKey is ZPWMLWHQDBQRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H123O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-62-63(61,64)65-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3,(H,61,64).
What are the key properties of hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane?
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane has a molecular weight of 971.75 g/mol, XLogP of 23.84, 60 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane is sourced from PubChem (CID 161189025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).