tetrakis(butane-1-thiolate);tin(4+)

C16H36S4Sn — CID 102601027

IUPACtetrakis(butane-1-thiolate);tin(4+)
SMILESCCCC[S-].CCCC[S-].CCCC[S-].CCCC[S-].[Sn+4]
InChIInChI=1S/4C4H10S.Sn/c4*1-2-3-4-5;/h4*5H,2-4H2,1H3;/q;;;;+4/p-4
InChIKeyMIRCOTRSGWESOA-UHFFFAOYSA-J
MW475.44 g/mol
LogP4.95
Rot. Bonds8

About tetrakis(butane-1-thiolate);tin(4+)

tetrakis(butane-1-thiolate);tin(4+) (PubChem CID 102601027) has the molecular formula C16H36S4Sn and a molecular weight of 475.44 g/mol. Its IUPAC name is tetrakis(butane-1-thiolate);tin(4+).

Molecular Properties

Compound Nametetrakis(butane-1-thiolate);tin(4+)
PubChem CID102601027
Molecular FormulaC16H36S4Sn
Molecular Weight475.44 g/mol
Exact Mass476.07
IUPAC Nametetrakis(butane-1-thiolate);tin(4+)
SMILESCCCC[S-].CCCC[S-].CCCC[S-].CCCC[S-].[Sn+4]
InChIInChI=1S/4C4H10S.Sn/c4*1-2-3-4-5;/h4*5H,2-4H2,1H3;/q;;;;+4/p-4
InChIKeyMIRCOTRSGWESOA-UHFFFAOYSA-J
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(butane-1-thiolate);ethyltin(3+)
CID 21415777
bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion
CID 6399528
docosane-1-thiolate
CID 102062479
silver hexadecane-1-thiolate
CID 100970430
gold(1+);tetradecane-1-thiolate
CID 118692951
silver octadecane-1-thiolate
CID 22348633
potassium octane-1-thiolate
CID 23682502
hexane-1-thiolate;titanium(4+)
CID 172788894
manganese(2+);bis(octane-1-thiolate)
CID 88657665
CID 173438464
CID 173438464
mercury(2+);pentane-1-thiolate;iodide
CID 101041651
butane-1-thiolate;tributylstannanylium
CID 6102132

Frequently Asked Questions

What is the IUPAC name of tetrakis(butane-1-thiolate);tin(4+)?
The IUPAC name of tetrakis(butane-1-thiolate);tin(4+) (CID 102601027) is tetrakis(butane-1-thiolate);tin(4+).
What is the SMILES notation for tetrakis(butane-1-thiolate);tin(4+)?
The canonical SMILES for tetrakis(butane-1-thiolate);tin(4+) is CCCC[S-].CCCC[S-].CCCC[S-].CCCC[S-].[Sn+4].
What is the InChIKey of tetrakis(butane-1-thiolate);tin(4+)?
The InChIKey is MIRCOTRSGWESOA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C4H10S.Sn/c4*1-2-3-4-5;/h4*5H,2-4H2,1H3;/q;;;;+4/p-4.
What are the key properties of tetrakis(butane-1-thiolate);tin(4+)?
tetrakis(butane-1-thiolate);tin(4+) has a molecular weight of 475.44 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butane-1-thiolate);tin(4+) is sourced from PubChem (CID 102601027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).