antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)

C18H42O6P3S6Sb — CID 175173432

IUPACantimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
SMILESCCCOP([O-])(=S)SCCC.CCCOP([O-])(=S)SCCC.CCCOP([O-])(=S)SCCC.[Sb+3]
InChIInChI=1S/3C6H15O2PS2.Sb/c3*1-3-5-8-9(7,10)11-6-4-2;/h3*3-6H2,1-2H3,(H,7,10);/q;;;+3/p-3
InChIKeyBWMIVCIMMNVGFR-UHFFFAOYSA-K
MW761.61 g/mol
LogP6.04
Rot. Bonds18

About antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)

antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane) (PubChem CID 175173432) has the molecular formula C18H42O6P3S6Sb and a molecular weight of 761.61 g/mol. Its IUPAC name is antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane).

Molecular Properties

Compound Nameantimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
PubChem CID175173432
Molecular FormulaC18H42O6P3S6Sb
Molecular Weight761.61 g/mol
Exact Mass759.96
IUPAC Nameantimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
SMILESCCCOP([O-])(=S)SCCC.CCCOP([O-])(=S)SCCC.CCCOP([O-])(=S)SCCC.[Sb+3]
InChIInChI=1S/3C6H15O2PS2.Sb/c3*1-3-5-8-9(7,10)11-6-4-2;/h3*3-6H2,1-2H3,(H,7,10);/q;;;+3/p-3
InChIKeyBWMIVCIMMNVGFR-UHFFFAOYSA-K
XLogP6.04
TPSA96.87 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.61
LogP ≤ 56.04
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'}

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Frequently Asked Questions

What is the IUPAC name of antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)?
The IUPAC name of antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane) (CID 175173432) is antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane).
What is the SMILES notation for antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)?
The canonical SMILES for antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane) is CCCOP([O-])(=S)SCCC.CCCOP([O-])(=S)SCCC.CCCOP([O-])(=S)SCCC.[Sb+3].
What is the InChIKey of antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)?
The InChIKey is BWMIVCIMMNVGFR-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6H15O2PS2.Sb/c3*1-3-5-8-9(7,10)11-6-4-2;/h3*3-6H2,1-2H3,(H,7,10);/q;;;+3/p-3.
What are the key properties of antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)?
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane) has a molecular weight of 761.61 g/mol, XLogP of 6.04, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane) is sourced from PubChem (CID 175173432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).