(4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane

C17H21O2PS2 — CID 88667793

IUPAC(4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCc1ccccc1OP(=S)(S)Oc1ccc(CC)cc1
InChIInChI=1S/C17H21O2PS2/c1-3-7-15-8-5-6-9-17(15)19-20(21,22)18-16-12-10-14(4-2)11-13-16/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyTXUIIWQGMZOHLA-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.81
Rot. Bonds7

About (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane

(4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 88667793) has the molecular formula C17H21O2PS2 and a molecular weight of 352.46 g/mol. Its IUPAC name is (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID88667793
Molecular FormulaC17H21O2PS2
Molecular Weight352.46 g/mol
Exact Mass352.07
IUPAC Name(4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCc1ccccc1OP(=S)(S)Oc1ccc(CC)cc1
InChIInChI=1S/C17H21O2PS2/c1-3-7-15-8-5-6-9-17(15)19-20(21,22)18-16-12-10-14(4-2)11-13-16/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyTXUIIWQGMZOHLA-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol
CID 162747363
bis(4-nonylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
CID 13326367
1-bis(2-propylphenoxy)phosphorylpropan-2-one
CID 176899425
bis(2-propylphenyl) carbonate
CID 66781525
(4-nonylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 140845535
N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline
CID 70179153
hexakis(bis(2-nonylphenoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 23071486
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene
CID 87672742
(2-butylphenyl) phenyl phosphate
CID 18924623
zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 70606516

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane (CID 88667793) is (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane is CCCc1ccccc1OP(=S)(S)Oc1ccc(CC)cc1.
What is the InChIKey of (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is TXUIIWQGMZOHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O2PS2/c1-3-7-15-8-5-6-9-17(15)19-20(21,22)18-16-12-10-14(4-2)11-13-16/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,22).
What are the key properties of (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane?
(4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 352.46 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88667793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).