hexoxy-diphenyl-sulfanylidene-λ5-phosphane

C18H23OPS — CID 134935003

IUPAChexoxy-diphenyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23OPS/c1-2-3-4-11-16-19-20(21,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3
InChIKeySCIPDQDXMZDPSL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.63
Rot. Bonds8

About hexoxy-diphenyl-sulfanylidene-λ5-phosphane

hexoxy-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 134935003) has the molecular formula C18H23OPS and a molecular weight of 318.42 g/mol. Its IUPAC name is hexoxy-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehexoxy-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID134935003
Molecular FormulaC18H23OPS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Namehexoxy-diphenyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23OPS/c1-2-3-4-11-16-19-20(21,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3
InChIKeySCIPDQDXMZDPSL-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935640
di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
butoxy-chloro-phenyl-sulfanylidene-λ5-phosphane
CID 23412949
zinc;diheptoxy-phenylsulfanyl-sulfanylidene-λ5-phosphane;sulfide
CID 87462018
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
[2-methylpropoxy(tridecoxy)phosphoryl]benzene
CID 91723456
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
(4-nitrophenoxy)-octoxy-phenyl-sulfanylidene-λ5-phosphane
CID 71409695
heptyl pentyl phenyl phosphate
CID 21454681

Frequently Asked Questions

What is the IUPAC name of hexoxy-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of hexoxy-diphenyl-sulfanylidene-λ5-phosphane (CID 134935003) is hexoxy-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hexoxy-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hexoxy-diphenyl-sulfanylidene-λ5-phosphane is CCCCCCOP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexoxy-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is SCIPDQDXMZDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23OPS/c1-2-3-4-11-16-19-20(21,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3.
What are the key properties of hexoxy-diphenyl-sulfanylidene-λ5-phosphane?
hexoxy-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 318.42 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 134935003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).