pentanedithioic acid;stibane

C5H13S2Sb — CID 174261271

IUPACpentanedithioic acid;stibane
SMILESCCCCC(=S)S.[SbH3]
InChIInChI=1S/C5H10S2.Sb.3H/c1-2-3-4-5(6)7;;;;/h2-4H2,1H3,(H,6,7);;;;
InChIKeyRJJWNIYNTZLBCO-UHFFFAOYSA-N
MW259.05 g/mol
LogP1.25
Rot. Bonds3

About pentanedithioic acid;stibane

pentanedithioic acid;stibane (PubChem CID 174261271) has the molecular formula C5H13S2Sb and a molecular weight of 259.05 g/mol. Its IUPAC name is pentanedithioic acid;stibane.

Molecular Properties

Compound Namepentanedithioic acid;stibane
PubChem CID174261271
Molecular FormulaC5H13S2Sb
Molecular Weight259.05 g/mol
Exact Mass257.95
IUPAC Namepentanedithioic acid;stibane
SMILESCCCCC(=S)S.[SbH3]
InChIInChI=1S/C5H10S2.Sb.3H/c1-2-3-4-5(6)7;;;;/h2-4H2,1H3,(H,6,7);;;;
InChIKeyRJJWNIYNTZLBCO-UHFFFAOYSA-N
XLogP1.25
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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octadecane-9,10-dithione
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dodecan-5-one
CID 29771
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CID 174820687

Frequently Asked Questions

What is the IUPAC name of pentanedithioic acid;stibane?
The IUPAC name of pentanedithioic acid;stibane (CID 174261271) is pentanedithioic acid;stibane.
What is the SMILES notation for pentanedithioic acid;stibane?
The canonical SMILES for pentanedithioic acid;stibane is CCCCC(=S)S.[SbH3].
What is the InChIKey of pentanedithioic acid;stibane?
The InChIKey is RJJWNIYNTZLBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2.Sb.3H/c1-2-3-4-5(6)7;;;;/h2-4H2,1H3,(H,6,7);;;;.
What are the key properties of pentanedithioic acid;stibane?
pentanedithioic acid;stibane has a molecular weight of 259.05 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanedithioic acid;stibane is sourced from PubChem (CID 174261271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).