antimony(5+);pentakis(2-sulfanylhexanoate)

C30H55O10S5Sb — CID 173438016

IUPACantimony(5+);pentakis(2-sulfanylhexanoate)
SMILESCCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].[Sb+5]
InChIInChI=1S/5C6H12O2S.Sb/c5*1-2-3-4-5(9)6(7)8;/h5*5,9H,2-4H2,1H3,(H,7,8);/q;;;;;+5/p-5
InChIKeyFNQBZKFQZOFKCP-UHFFFAOYSA-I
MW857.85 g/mol
LogP0.74
Rot. Bonds20

About antimony(5+);pentakis(2-sulfanylhexanoate)

antimony(5+);pentakis(2-sulfanylhexanoate) (PubChem CID 173438016) has the molecular formula C30H55O10S5Sb and a molecular weight of 857.85 g/mol. Its IUPAC name is antimony(5+);pentakis(2-sulfanylhexanoate).

Molecular Properties

Compound Nameantimony(5+);pentakis(2-sulfanylhexanoate)
PubChem CID173438016
Molecular FormulaC30H55O10S5Sb
Molecular Weight857.85 g/mol
Exact Mass856.14
IUPAC Nameantimony(5+);pentakis(2-sulfanylhexanoate)
SMILESCCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].[Sb+5]
InChIInChI=1S/5C6H12O2S.Sb/c5*1-2-3-4-5(9)6(7)8;/h5*5,9H,2-4H2,1H3,(H,7,8);/q;;;;;+5/p-5
InChIKeyFNQBZKFQZOFKCP-UHFFFAOYSA-I
XLogP0.74
TPSA200.65 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.85
LogP ≤ 50.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

2-sulfanylheptanoate
CID 22594709
tetrakis(4-ethyl-2-sulfanyloctanoate);tin(4+)
CID 158685009
bis(butyltin(3+));tetrakis(8-methyl-2-sulfanylnonanoate);sulfide
CID 23056139
2,8-bis(sulfanyl)octanoate
CID 23298468
(2R)-2-methylhexanoate
CID 6999857
CID 160996174
CID 160996174
propanoic acid;bis(2-sulfanylhexanoic acid)
CID 157203259
magnesium bis(2-hydroxyhexanoate)
CID 139844837
copper bis(2-methylhexanoate)
CID 19768945
5-sulfanylnonanoate
CID 20837855
azanium 4-hydroxy-2-sulfanylbutanoate
CID 139931413
hydrogen carbonate;bis(tetrabutylphosphanium)
CID 139200490

Frequently Asked Questions

What is the IUPAC name of antimony(5+);pentakis(2-sulfanylhexanoate)?
The IUPAC name of antimony(5+);pentakis(2-sulfanylhexanoate) (CID 173438016) is antimony(5+);pentakis(2-sulfanylhexanoate).
What is the SMILES notation for antimony(5+);pentakis(2-sulfanylhexanoate)?
The canonical SMILES for antimony(5+);pentakis(2-sulfanylhexanoate) is CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].CCCCC(S)C(=O)[O-].[Sb+5].
What is the InChIKey of antimony(5+);pentakis(2-sulfanylhexanoate)?
The InChIKey is FNQBZKFQZOFKCP-UHFFFAOYSA-I. The full InChI is InChI=1S/5C6H12O2S.Sb/c5*1-2-3-4-5(9)6(7)8;/h5*5,9H,2-4H2,1H3,(H,7,8);/q;;;;;+5/p-5.
What are the key properties of antimony(5+);pentakis(2-sulfanylhexanoate)?
antimony(5+);pentakis(2-sulfanylhexanoate) has a molecular weight of 857.85 g/mol, XLogP of 0.74, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(5+);pentakis(2-sulfanylhexanoate) is sourced from PubChem (CID 173438016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).