dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane

C20H43O3PS2 — CID 150946102

IUPACdibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCSOP(=S)(OCCCC)OCCCC
InChIInChI=1S/C20H43O3PS2/c1-4-7-10-11-12-13-14-15-16-17-20-26-23-24(25,21-18-8-5-2)22-19-9-6-3/h4-20H2,1-3H3
InChIKeyLJBWYKSPKREPMZ-UHFFFAOYSA-N
MW426.67 g/mol
LogP8.43
Rot. Bonds21

About dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane

dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane (PubChem CID 150946102) has the molecular formula C20H43O3PS2 and a molecular weight of 426.67 g/mol. Its IUPAC name is dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane
PubChem CID150946102
Molecular FormulaC20H43O3PS2
Molecular Weight426.67 g/mol
Exact Mass426.24
IUPAC Namedibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCSOP(=S)(OCCCC)OCCCC
InChIInChI=1S/C20H43O3PS2/c1-4-7-10-11-12-13-14-15-16-17-20-26-23-24(25,21-18-8-5-2)22-19-9-6-3/h4-20H2,1-3H3
InChIKeyLJBWYKSPKREPMZ-UHFFFAOYSA-N
XLogP8.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
dimethoxy-pentoxy-sulfanylidene-λ5-phosphane
CID 54147848
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
1-hexylsulfanyloxysulfanylhexane
CID 87712017
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158

Frequently Asked Questions

What is the IUPAC name of dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane?
The IUPAC name of dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane (CID 150946102) is dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane is CCCCCCCCCCCCSOP(=S)(OCCCC)OCCCC.
What is the InChIKey of dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane?
The InChIKey is LJBWYKSPKREPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O3PS2/c1-4-7-10-11-12-13-14-15-16-17-20-26-23-24(25,21-18-8-5-2)22-19-9-6-3/h4-20H2,1-3H3.
What are the key properties of dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane?
dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane has a molecular weight of 426.67 g/mol, XLogP of 8.43, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 150946102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).