bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol

C17H23O3PS2 — CID 162747363

IUPACbis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol
SMILESCCc1ccc(OP(=S)(S)Oc2ccc(CC)cc2)cc1.CO
InChIInChI=1S/C16H19O2PS2.CH4O/c1-3-13-5-9-15(10-6-13)17-19(20,21)18-16-11-7-14(4-2)8-12-16;1-2/h5-12H,3-4H2,1-2H3,(H,20,21);2H,1H3
InChIKeyCIZVNZJLGARPNE-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.03
Rot. Bonds6

About bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol

bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol (PubChem CID 162747363) has the molecular formula C17H23O3PS2 and a molecular weight of 370.48 g/mol. Its IUPAC name is bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol.

Molecular Properties

Compound Namebis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol
PubChem CID162747363
Molecular FormulaC17H23O3PS2
Molecular Weight370.48 g/mol
Exact Mass370.08
IUPAC Namebis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol
SMILESCCc1ccc(OP(=S)(S)Oc2ccc(CC)cc2)cc1.CO
InChIInChI=1S/C16H19O2PS2.CH4O/c1-3-13-5-9-15(10-6-13)17-19(20,21)18-16-11-7-14(4-2)8-12-16;1-2/h5-12H,3-4H2,1-2H3,(H,20,21);2H,1H3
InChIKeyCIZVNZJLGARPNE-UHFFFAOYSA-N
XLogP5.03
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 88667793
bis(4-nonylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
CID 13326367
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane
CID 54506506
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
(4-ethylphenyl) carbamate
CID 1269945
(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate
CID 174775816
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
4-ethyl-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11860169
bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone
CID 87156122
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946

Frequently Asked Questions

What is the IUPAC name of bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol?
The IUPAC name of bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol (CID 162747363) is bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol.
What is the SMILES notation for bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol?
The canonical SMILES for bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol is CCc1ccc(OP(=S)(S)Oc2ccc(CC)cc2)cc1.CO.
What is the InChIKey of bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol?
The InChIKey is CIZVNZJLGARPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2PS2.CH4O/c1-3-13-5-9-15(10-6-13)17-19(20,21)18-16-11-7-14(4-2)8-12-16;1-2/h5-12H,3-4H2,1-2H3,(H,20,21);2H,1H3.
What are the key properties of bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol?
bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol has a molecular weight of 370.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane;methanol is sourced from PubChem (CID 162747363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).