octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane

C24H51OPS3 — CID 54515285

IUPACoctoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCOP(=S)(SCCCCCCCC)SCCCCCCCC
InChIInChI=1S/C24H51OPS3/c1-4-7-10-13-16-19-22-25-26(27,28-23-20-17-14-11-8-5-2)29-24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKeyYLZURCZSKQADJR-UHFFFAOYSA-N
MW482.85 g/mol
LogP10.78
Rot. Bonds24

About octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane

octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 54515285) has the molecular formula C24H51OPS3 and a molecular weight of 482.85 g/mol. Its IUPAC name is octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameoctoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID54515285
Molecular FormulaC24H51OPS3
Molecular Weight482.85 g/mol
Exact Mass482.28
IUPAC Nameoctoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCOP(=S)(SCCCCCCCC)SCCCCCCCC
InChIInChI=1S/C24H51OPS3/c1-4-7-10-13-16-19-22-25-26(27,28-23-20-17-14-11-8-5-2)29-24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKeyYLZURCZSKQADJR-UHFFFAOYSA-N
XLogP10.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.85
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
CID 141192629
CID 141192629
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758

Frequently Asked Questions

What is the IUPAC name of octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane (CID 54515285) is octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane is CCCCCCCCOP(=S)(SCCCCCCCC)SCCCCCCCC.
What is the InChIKey of octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is YLZURCZSKQADJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51OPS3/c1-4-7-10-13-16-19-22-25-26(27,28-23-20-17-14-11-8-5-2)29-24-21-18-15-12-9-6-3/h4-24H2,1-3H3.
What are the key properties of octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane?
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 482.85 g/mol, XLogP of 10.78, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54515285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).