antimony(3+);tris(3-hydroxypropane-1-thiolate)

C9H21O3S3Sb — CID 19855667

IUPACantimony(3+);tris(3-hydroxypropane-1-thiolate)
SMILESOCCC[S-].OCCC[S-].OCCC[S-].[Sb+3]
InChIInChI=1S/3C3H8OS.Sb/c3*4-2-1-3-5;/h3*4-5H,1-3H2;/q;;;+3/p-3
InChIKeySDQDGURBWOOXTF-UHFFFAOYSA-K
MW395.23 g/mol
LogP-0.63
Rot. Bonds6

About antimony(3+);tris(3-hydroxypropane-1-thiolate)

antimony(3+);tris(3-hydroxypropane-1-thiolate) (PubChem CID 19855667) has the molecular formula C9H21O3S3Sb and a molecular weight of 395.23 g/mol. Its IUPAC name is antimony(3+);tris(3-hydroxypropane-1-thiolate).

Molecular Properties

Compound Nameantimony(3+);tris(3-hydroxypropane-1-thiolate)
PubChem CID19855667
Molecular FormulaC9H21O3S3Sb
Molecular Weight395.23 g/mol
Exact Mass393.97
IUPAC Nameantimony(3+);tris(3-hydroxypropane-1-thiolate)
SMILESOCCC[S-].OCCC[S-].OCCC[S-].[Sb+3]
InChIInChI=1S/3C3H8OS.Sb/c3*4-2-1-3-5;/h3*4-5H,1-3H2;/q;;;+3/p-3
InChIKeySDQDGURBWOOXTF-UHFFFAOYSA-K
XLogP-0.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Ethanol, 2,2',2''-[(butylstannylidyne)tris(thio)]tris-
CID 116862
Ethanol, 2,2'-((dibutylstannylene)bis(thio))bis-
CID 9575818
4,4'-Dithiobisbutan-1-ol
CID 121715
3-[(3-Hydroxypropyl)disulfanyl]-1-propanol
CID 11651260
Ethanol, 2,2',2''-(stibylidynetris(thio))tris-
CID 116971
Antimony, tris(2-(mercapto-kappaS)ethanolato-kappaO)-
CID 172753
Bis(3-hydroxypropyl)trisulfide
CID 3080752
2-Sulfanylpropan-1-ol;3-sulfanylpropan-1-ol
CID 73555436
bis-[3,3-(2-Methylpropanol-1)] disulfide
CID 529080
Propanol, 3,3'-dithiobis[2,2-dimethyl-
CID 549965
Butyltin(3+);tris(2-hydroxyethanethiolate)
CID 16056919
Dibutyltin(2+);bis(2-hydroxyethanethiolate)
CID 16058381

Frequently Asked Questions

What is the IUPAC name of antimony(3+);tris(3-hydroxypropane-1-thiolate)?
The IUPAC name of antimony(3+);tris(3-hydroxypropane-1-thiolate) (CID 19855667) is antimony(3+);tris(3-hydroxypropane-1-thiolate).
What is the SMILES notation for antimony(3+);tris(3-hydroxypropane-1-thiolate)?
The canonical SMILES for antimony(3+);tris(3-hydroxypropane-1-thiolate) is OCCC[S-].OCCC[S-].OCCC[S-].[Sb+3].
What is the InChIKey of antimony(3+);tris(3-hydroxypropane-1-thiolate)?
The InChIKey is SDQDGURBWOOXTF-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H8OS.Sb/c3*4-2-1-3-5;/h3*4-5H,1-3H2;/q;;;+3/p-3.
What are the key properties of antimony(3+);tris(3-hydroxypropane-1-thiolate)?
antimony(3+);tris(3-hydroxypropane-1-thiolate) has a molecular weight of 395.23 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);tris(3-hydroxypropane-1-thiolate) is sourced from PubChem (CID 19855667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).