sulfanide;tributylstannanylium

C12H28SSn — CID 13070078

IUPACsulfanide;tributylstannanylium
SMILESCCCC[Sn+](CCCC)CCCC.[SH-]
InChIInChI=1S/3C4H9.H2S.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H2;/q;;;;+1/p-1
InChIKeyHCELHEKWMYQQPU-UHFFFAOYSA-M
MW323.13 g/mol
LogP4.61
Rot. Bonds9

About sulfanide;tributylstannanylium

sulfanide;tributylstannanylium (PubChem CID 13070078) has the molecular formula C12H28SSn and a molecular weight of 323.13 g/mol. Its IUPAC name is sulfanide;tributylstannanylium.

Molecular Properties

Compound Namesulfanide;tributylstannanylium
PubChem CID13070078
Molecular FormulaC12H28SSn
Molecular Weight323.13 g/mol
Exact Mass324.09
IUPAC Namesulfanide;tributylstannanylium
SMILESCCCC[Sn+](CCCC)CCCC.[SH-]
InChIInChI=1S/3C4H9.H2S.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H2;/q;;;;+1/p-1
InChIKeyHCELHEKWMYQQPU-UHFFFAOYSA-M
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

azane;tributylstannanylium
CID 172708853
copper(1+);bis(tributylstannanylium)
CID 19840058
dibutyl(propyl)stannanylium chloride
CID 23200296
dibutyl(docosyl)stannanylium
CID 175600993
dibutyl(octyl)stannanylium
CID 87200791
dibutyl(octyl)stannanylium chloride
CID 88642054
tri(tetradecyl)stannanylium chloride
CID 88819643
tributylstannanylium formate
CID 22167734
methanolate;trioctylstannanylium
CID 23295104
tributylstannanylium sulfamate
CID 175434161
CID 11115366
CID 11115366
tributyl(chloro)stannane;tributylstannanylium;chloride
CID 89264041

Frequently Asked Questions

What is the IUPAC name of sulfanide;tributylstannanylium?
The IUPAC name of sulfanide;tributylstannanylium (CID 13070078) is sulfanide;tributylstannanylium.
What is the SMILES notation for sulfanide;tributylstannanylium?
The canonical SMILES for sulfanide;tributylstannanylium is CCCC[Sn+](CCCC)CCCC.[SH-].
What is the InChIKey of sulfanide;tributylstannanylium?
The InChIKey is HCELHEKWMYQQPU-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.H2S.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H2;/q;;;;+1/p-1.
What are the key properties of sulfanide;tributylstannanylium?
sulfanide;tributylstannanylium has a molecular weight of 323.13 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanide;tributylstannanylium is sourced from PubChem (CID 13070078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).