bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane

C22H31O3PS — CID 11327235

IUPACbis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H31O3PS/c1-8-23-26(27,24-19-13-9-17(10-14-19)21(2,3)4)25-20-15-11-18(12-16-20)22(5,6)7/h9-16H,8H2,1-7H3
InChIKeyXWMLSOOGAQETSP-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.00
Rot. Bonds6

About bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane

bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane (PubChem CID 11327235) has the molecular formula C22H31O3PS and a molecular weight of 406.53 g/mol. Its IUPAC name is bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
PubChem CID11327235
Molecular FormulaC22H31O3PS
Molecular Weight406.53 g/mol
Exact Mass406.17
IUPAC Namebis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H31O3PS/c1-8-23-26(27,24-19-13-9-17(10-14-19)21(2,3)4)25-20-15-11-18(12-16-20)22(5,6)7/h9-16H,8H2,1-7H3
InChIKeyXWMLSOOGAQETSP-UHFFFAOYSA-N
XLogP7.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane
CID 15582593
[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
4-diethoxyphosphinothioyloxybenzoic acid
CID 91003120
ethoxy-[4-[2-[4-[ethoxy(propylsulfanyl)phosphinothioyl]oxyphenyl]propan-2-yl]phenoxy]-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88710802
(4-tert-butylphenoxy)-methylphosphinate
CID 2313159
1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
CID 71670386
azanium (4-tert-butylphenyl) [4-(2-methylbutan-2-yl)phenyl] phosphate
CID 3020874
sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride
CID 174748805
(4-tert-butylphenyl) dichloro phosphate
CID 141025972
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
bis(4-tert-butylphenyl) propanedioate
CID 56991121
(4-tert-butylphenoxy)-ethylalumanylium chloride
CID 21461038

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane (CID 11327235) is bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is XWMLSOOGAQETSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31O3PS/c1-8-23-26(27,24-19-13-9-17(10-14-19)21(2,3)4)25-20-15-11-18(12-16-20)22(5,6)7/h9-16H,8H2,1-7H3.
What are the key properties of bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane?
bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 406.53 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11327235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).