antimony(3+);tris(2-sulfanylpropanoate)

C9H15O6S3Sb — CID 23452047

IUPACantimony(3+);tris(2-sulfanylpropanoate)
SMILESCC(S)C(=O)[O-].CC(S)C(=O)[O-].CC(S)C(=O)[O-].[Sb+3]
InChIInChI=1S/3C3H6O2S.Sb/c3*1-2(6)3(4)5;/h3*2,6H,1H3,(H,4,5);/q;;;+3/p-3
InChIKeyGHFOMEVVHPNYBB-UHFFFAOYSA-K
MW437.17 g/mol
LogP-3.22
Rot. Bonds3

About antimony(3+);tris(2-sulfanylpropanoate)

antimony(3+);tris(2-sulfanylpropanoate) (PubChem CID 23452047) has the molecular formula C9H15O6S3Sb and a molecular weight of 437.17 g/mol. Its IUPAC name is antimony(3+);tris(2-sulfanylpropanoate).

Molecular Properties

Compound Nameantimony(3+);tris(2-sulfanylpropanoate)
PubChem CID23452047
Molecular FormulaC9H15O6S3Sb
Molecular Weight437.17 g/mol
Exact Mass435.91
IUPAC Nameantimony(3+);tris(2-sulfanylpropanoate)
SMILESCC(S)C(=O)[O-].CC(S)C(=O)[O-].CC(S)C(=O)[O-].[Sb+3]
InChIInChI=1S/3C3H6O2S.Sb/c3*1-2(6)3(4)5;/h3*2,6H,1H3,(H,4,5);/q;;;+3/p-3
InChIKeyGHFOMEVVHPNYBB-UHFFFAOYSA-K
XLogP-3.22
TPSA120.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.17
LogP ≤ 5-3.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

(2R)-2-sulfanylpropanoate
CID 7057984
methane;2-sulfanylpropanoate
CID 158507448
copper bis(2-hydroxypropanoate)
CID 13145
dibutyltin(2+);bis(2-sulfanylpropanoate)
CID 53471901
dilithium bis(2-methylpropanoate)
CID 86626069
barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
(2S,3R)-2,3-bis(sulfanyl)butanedioate
CID 11865476
calcium bis(2-methylpropanoate)
CID 102602609
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244

Frequently Asked Questions

What is the IUPAC name of antimony(3+);tris(2-sulfanylpropanoate)?
The IUPAC name of antimony(3+);tris(2-sulfanylpropanoate) (CID 23452047) is antimony(3+);tris(2-sulfanylpropanoate).
What is the SMILES notation for antimony(3+);tris(2-sulfanylpropanoate)?
The canonical SMILES for antimony(3+);tris(2-sulfanylpropanoate) is CC(S)C(=O)[O-].CC(S)C(=O)[O-].CC(S)C(=O)[O-].[Sb+3].
What is the InChIKey of antimony(3+);tris(2-sulfanylpropanoate)?
The InChIKey is GHFOMEVVHPNYBB-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H6O2S.Sb/c3*1-2(6)3(4)5;/h3*2,6H,1H3,(H,4,5);/q;;;+3/p-3.
What are the key properties of antimony(3+);tris(2-sulfanylpropanoate)?
antimony(3+);tris(2-sulfanylpropanoate) has a molecular weight of 437.17 g/mol, XLogP of -3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);tris(2-sulfanylpropanoate) is sourced from PubChem (CID 23452047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).