bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane

C48H102O6P3S6Sb — CID 164511717

IUPACbis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane
SMILESCCCCC(CC)COP(=S)(OCC(CC)CCCC)S[Sb](SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC
InChIInChI=1S/3C16H35O2PS2.Sb/c3*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,20,21);/q;;;+3/p-3
InChIKeyHWFCBJDGOMEJGH-UHFFFAOYSA-K
MW1182.42 g/mol
LogP20.24
Rot. Bonds48

About bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane

bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane (PubChem CID 164511717) has the molecular formula C48H102O6P3S6Sb and a molecular weight of 1182.42 g/mol. Its IUPAC name is bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane
PubChem CID164511717
Molecular FormulaC48H102O6P3S6Sb
Molecular Weight1182.42 g/mol
Exact Mass1180.43
IUPAC Namebis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane
SMILESCCCCC(CC)COP(=S)(OCC(CC)CCCC)S[Sb](SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC
InChIInChI=1S/3C16H35O2PS2.Sb/c3*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,20,21);/q;;;+3/p-3
InChIKeyHWFCBJDGOMEJGH-UHFFFAOYSA-K
XLogP20.24
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds48
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001182.42
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane with MolForge

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Related Compounds

CID 54607094
CID 54607094
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 22134484
tetrakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane);molybdenum(4+)
CID 14251929
bis(2-ethylhexoxy)-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-sulfanylidene-λ5-phosphane
CID 102462092
hexakis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum;sulfur monoxide
CID 173290359
2-ethylhexoxy-(2-ethylhexylsulfanyl)-hydroxy-sulfanylidene-λ5-phosphane
CID 22062721
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
3-[[disulfanyl(2-ethylhexoxy)phosphoryl]oxymethyl]heptane
CID 173420087
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867

Frequently Asked Questions

What is the IUPAC name of bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane (CID 164511717) is bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane is CCCCC(CC)COP(=S)(OCC(CC)CCCC)S[Sb](SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC.
What is the InChIKey of bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is HWFCBJDGOMEJGH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C16H35O2PS2.Sb/c3*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,20,21);/q;;;+3/p-3.
What are the key properties of bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane?
bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 1182.42 g/mol, XLogP of 20.24, 48 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(2-ethylhexoxy)phosphinothioylsulfanyl]stibanylsulfanyl-bis(2-ethylhexoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 164511717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).