butane-1-thiolate;tributylstannanylium

C16H36SSn — CID 6102132

IUPACbutane-1-thiolate;tributylstannanylium
SMILESCCCC[S-].CCCC[Sn+](CCCC)CCCC
InChIInChI=1S/C4H10S.3C4H9.Sn/c1-2-3-4-5;3*1-3-4-2;/h5H,2-4H2,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyQYXUTCIFPBUUFA-UHFFFAOYSA-M
MW379.24 g/mol
LogP6.21
Rot. Bonds11

About butane-1-thiolate;tributylstannanylium

butane-1-thiolate;tributylstannanylium (PubChem CID 6102132) has the molecular formula C16H36SSn and a molecular weight of 379.24 g/mol. Its IUPAC name is butane-1-thiolate;tributylstannanylium.

Molecular Properties

Compound Namebutane-1-thiolate;tributylstannanylium
PubChem CID6102132
Molecular FormulaC16H36SSn
Molecular Weight379.24 g/mol
Exact Mass380.16
IUPAC Namebutane-1-thiolate;tributylstannanylium
SMILESCCCC[S-].CCCC[Sn+](CCCC)CCCC
InChIInChI=1S/C4H10S.3C4H9.Sn/c1-2-3-4-5;3*1-3-4-2;/h5H,2-4H2,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyQYXUTCIFPBUUFA-UHFFFAOYSA-M
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.24
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;tributylstannanylium
CID 172708853
sulfanide;tributylstannanylium
CID 13070078
copper(1+);bis(tributylstannanylium)
CID 19840058
tetrakis(butane-1-thiolate);tin(4+)
CID 102601027
dibutyl(propyl)stannanylium chloride
CID 23200296
dibutyl(docosyl)stannanylium
CID 175600993
dibutyl(octyl)stannanylium
CID 87200791
dibutyl(octyl)stannanylium chloride
CID 88642054
tris(butane-1-thiolate);ethyltin(3+)
CID 21415777
tri(tetradecyl)stannanylium chloride
CID 88819643
bis(butane-1-thiolate);bis(cobalt(2+));nitroxyl anion
CID 6399528
tributylstannanylium formate
CID 22167734

Frequently Asked Questions

What is the IUPAC name of butane-1-thiolate;tributylstannanylium?
The IUPAC name of butane-1-thiolate;tributylstannanylium (CID 6102132) is butane-1-thiolate;tributylstannanylium.
What is the SMILES notation for butane-1-thiolate;tributylstannanylium?
The canonical SMILES for butane-1-thiolate;tributylstannanylium is CCCC[S-].CCCC[Sn+](CCCC)CCCC.
What is the InChIKey of butane-1-thiolate;tributylstannanylium?
The InChIKey is QYXUTCIFPBUUFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10S.3C4H9.Sn/c1-2-3-4-5;3*1-3-4-2;/h5H,2-4H2,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of butane-1-thiolate;tributylstannanylium?
butane-1-thiolate;tributylstannanylium has a molecular weight of 379.24 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1-thiolate;tributylstannanylium is sourced from PubChem (CID 6102132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).