antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)

C30H57O6S3Sb — CID 173393859

IUPACantimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)
SMILESCCCCC(CC)CSCC(=O)[O-].CCCCC(CC)CSCC(=O)[O-].CCCCC(CC)CSCC(=O)[O-].[Sb+3]
InChIInChI=1S/3C10H20O2S.Sb/c3*1-3-5-6-9(4-2)7-13-8-10(11)12;/h3*9H,3-8H2,1-2H3,(H,11,12);/q;;;+3/p-3
InChIKeyLUZCUYYUEVLTDP-UHFFFAOYSA-K
MW731.74 g/mol
LogP4.68
Rot. Bonds24

About antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)

antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate) (PubChem CID 173393859) has the molecular formula C30H57O6S3Sb and a molecular weight of 731.74 g/mol. Its IUPAC name is antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate).

Molecular Properties

Compound Nameantimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)
PubChem CID173393859
Molecular FormulaC30H57O6S3Sb
Molecular Weight731.74 g/mol
Exact Mass730.24
IUPAC Nameantimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)
SMILESCCCCC(CC)CSCC(=O)[O-].CCCCC(CC)CSCC(=O)[O-].CCCCC(CC)CSCC(=O)[O-].[Sb+3]
InChIInChI=1S/3C10H20O2S.Sb/c3*1-3-5-6-9(4-2)7-13-8-10(11)12;/h3*9H,3-8H2,1-2H3,(H,11,12);/q;;;+3/p-3
InChIKeyLUZCUYYUEVLTDP-UHFFFAOYSA-K
XLogP4.68
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500731.74
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tris(2-(2-ethylhexylsulfanyl)acetate);methyltin(3+)
CID 161099104
antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)
CID 173393888
butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid)
CID 173041967
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109
zinc bis(3-ethylheptanoate)
CID 159696376
butyl-λ2-stannane;tris(2-(2-ethylhexylsulfanyl)acetic acid);sulfane
CID 173245996
3-(butylsulfanylmethyl)heptane
CID 54216540
1-(2-methylpropoxy)ethyl 2-(2-ethylhexylsulfanyl)acetate
CID 88603422
S-(2-ethylhexyl) 2-hydroxyethanethioate
CID 57180987
tris(4-(2-ethylhexylsulfanyl)-2-hydroxybutanoate);octyltin(3+)
CID 159601171
3-(2-ethylhexylsulfanyl)propan-1-amine
CID 66218302
3-(heptan-3-ylsulfanylmethyl)heptane
CID 134593171

Frequently Asked Questions

What is the IUPAC name of antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)?
The IUPAC name of antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate) (CID 173393859) is antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate).
What is the SMILES notation for antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)?
The canonical SMILES for antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate) is CCCCC(CC)CSCC(=O)[O-].CCCCC(CC)CSCC(=O)[O-].CCCCC(CC)CSCC(=O)[O-].[Sb+3].
What is the InChIKey of antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)?
The InChIKey is LUZCUYYUEVLTDP-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H20O2S.Sb/c3*1-3-5-6-9(4-2)7-13-8-10(11)12;/h3*9H,3-8H2,1-2H3,(H,11,12);/q;;;+3/p-3.
What are the key properties of antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate)?
antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate) has a molecular weight of 731.74 g/mol, XLogP of 4.68, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);tris(2-(2-ethylhexylsulfanyl)acetate) is sourced from PubChem (CID 173393859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).