(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane

C64H132O4P2S4 — CID 12599758

IUPAC(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCOP(=S)(OCCCCCCCCCCCCCCCC)SSP(=S)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H132O4P2S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69(71,66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)73-74-70(72,67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
InChIKeyNMIALJPDFHHESG-UHFFFAOYSA-N
MW1155.97 g/mol
LogP26.81
Rot. Bonds67

About (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane

(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane (PubChem CID 12599758) has the molecular formula C64H132O4P2S4 and a molecular weight of 1155.97 g/mol. Its IUPAC name is (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
PubChem CID12599758
Molecular FormulaC64H132O4P2S4
Molecular Weight1155.97 g/mol
Exact Mass1154.85
IUPAC Name(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCOP(=S)(OCCCCCCCCCCCCCCCC)SSP(=S)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C64H132O4P2S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69(71,66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)73-74-70(72,67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
InChIKeyNMIALJPDFHHESG-UHFFFAOYSA-N
XLogP26.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds67
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.97
LogP ≤ 526.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 141192629
CID 141192629
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
CID 158562006
CID 158562006
azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
calcium bis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane)
CID 87237721
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
CID 174201845
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596

Frequently Asked Questions

What is the IUPAC name of (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane (CID 12599758) is (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane is CCCCCCCCCCCCCCCCOP(=S)(OCCCCCCCCCCCCCCCC)SSP(=S)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC.
What is the InChIKey of (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane?
The InChIKey is NMIALJPDFHHESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H132O4P2S4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69(71,66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)73-74-70(72,67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3.
What are the key properties of (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane?
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane has a molecular weight of 1155.97 g/mol, XLogP of 26.81, 67 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12599758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).