tris(butane-1-thiolate);ethyltin(3+)

C14H32S3Sn — CID 21415777

IUPACtris(butane-1-thiolate);ethyltin(3+)
SMILESCCCC[S-].CCCC[S-].CCCC[S-].CC[Sn+3]
InChIInChI=1S/3C4H10S.C2H5.Sn/c3*1-2-3-4-5;1-2;/h3*5H,2-4H2,1H3;1H2,2H3;/q;;;;+3/p-3
InChIKeyPOLSQFIPKZAFTA-UHFFFAOYSA-K
MW415.32 g/mol
LogP4.59
Rot. Bonds6

About tris(butane-1-thiolate);ethyltin(3+)

tris(butane-1-thiolate);ethyltin(3+) (PubChem CID 21415777) has the molecular formula C14H32S3Sn and a molecular weight of 415.32 g/mol. Its IUPAC name is tris(butane-1-thiolate);ethyltin(3+).

Molecular Properties

Compound Nametris(butane-1-thiolate);ethyltin(3+)
PubChem CID21415777
Molecular FormulaC14H32S3Sn
Molecular Weight415.32 g/mol
Exact Mass416.07
IUPAC Nametris(butane-1-thiolate);ethyltin(3+)
SMILESCCCC[S-].CCCC[S-].CCCC[S-].CC[Sn+3]
InChIInChI=1S/3C4H10S.C2H5.Sn/c3*1-2-3-4-5;1-2;/h3*5H,2-4H2,1H3;1H2,2H3;/q;;;;+3/p-3
InChIKeyPOLSQFIPKZAFTA-UHFFFAOYSA-K
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(butane-1-thiolate);tin(4+)
CID 102601027
bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion
CID 6399528
docosane-1-thiolate
CID 102062479
silver hexadecane-1-thiolate
CID 100970430
silver octadecane-1-thiolate
CID 22348633
CID 173438464
CID 173438464
potassium octane-1-thiolate
CID 23682502
hexane-1-thiolate;titanium(4+)
CID 172788894
mercury(2+);pentane-1-thiolate;iodide
CID 101041651
manganese(2+);bis(octane-1-thiolate)
CID 88657665
gold(1+);tetradecane-1-thiolate
CID 118692951
butane-1-thiolate;tributylstannanylium
CID 6102132

Frequently Asked Questions

What is the IUPAC name of tris(butane-1-thiolate);ethyltin(3+)?
The IUPAC name of tris(butane-1-thiolate);ethyltin(3+) (CID 21415777) is tris(butane-1-thiolate);ethyltin(3+).
What is the SMILES notation for tris(butane-1-thiolate);ethyltin(3+)?
The canonical SMILES for tris(butane-1-thiolate);ethyltin(3+) is CCCC[S-].CCCC[S-].CCCC[S-].CC[Sn+3].
What is the InChIKey of tris(butane-1-thiolate);ethyltin(3+)?
The InChIKey is POLSQFIPKZAFTA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H10S.C2H5.Sn/c3*1-2-3-4-5;1-2;/h3*5H,2-4H2,1H3;1H2,2H3;/q;;;;+3/p-3.
What are the key properties of tris(butane-1-thiolate);ethyltin(3+)?
tris(butane-1-thiolate);ethyltin(3+) has a molecular weight of 415.32 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butane-1-thiolate);ethyltin(3+) is sourced from PubChem (CID 21415777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).