butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)

C10H30O3S4Sn — CID 173333355

IUPACbutyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)
SMILESCCCC[SnH].OCCS.OCCS.OCCS.S
InChIInChI=1S/C4H9.3C2H6OS.H2S.Sn.H/c1-3-4-2;3*3-1-2-4;;;/h1,3-4H2,2H3;3*3-4H,1-2H2;1H2;;
InChIKeyHMBDZXOXUKQTFP-UHFFFAOYSA-N
MW445.33 g/mol
LogP0.94
Rot. Bonds5

About butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)

butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol) (PubChem CID 173333355) has the molecular formula C10H30O3S4Sn and a molecular weight of 445.33 g/mol. Its IUPAC name is butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol).

Molecular Properties

Compound Namebutyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)
PubChem CID173333355
Molecular FormulaC10H30O3S4Sn
Molecular Weight445.33 g/mol
Exact Mass446.01
IUPAC Namebutyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)
SMILESCCCC[SnH].OCCS.OCCS.OCCS.S
InChIInChI=1S/C4H9.3C2H6OS.H2S.Sn.H/c1-3-4-2;3*3-1-2-4;;;/h1,3-4H2,2H3;3*3-4H,1-2H2;1H2;;
InChIKeyHMBDZXOXUKQTFP-UHFFFAOYSA-N
XLogP0.94
TPSA60.69 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.33
LogP ≤ 50.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl-λ2-stannane;dihydrate;hydrochloride
CID 174226611
2-sulfanylethanol;tributylstannane
CID 173446607
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butan-1-ol;bis(3-sulfanylpropanoic acid)
CID 175949702
ethanol;tetradecane-1-thiol
CID 174895304
dodecane-1-thiol;ethanol
CID 87337788
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
CID 87750430
CID 87750430
2-sulfanylethanol;trihydrochloride
CID 162128674
CID 87670557
CID 87670557
2-amino-2-(hydroxymethyl)propane-1,3-diol;butyl-λ2-stannane;azide
CID 173397231

Frequently Asked Questions

What is the IUPAC name of butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)?
The IUPAC name of butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol) (CID 173333355) is butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol).
What is the SMILES notation for butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)?
The canonical SMILES for butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol) is CCCC[SnH].OCCS.OCCS.OCCS.S.
What is the InChIKey of butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)?
The InChIKey is HMBDZXOXUKQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.3C2H6OS.H2S.Sn.H/c1-3-4-2;3*3-1-2-4;;;/h1,3-4H2,2H3;3*3-4H,1-2H2;1H2;;.
What are the key properties of butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol)?
butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol) has a molecular weight of 445.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-λ2-stannane;sulfane;tris(2-sulfanylethanol) is sourced from PubChem (CID 173333355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).