bis(triethylazanium);sulfide

C12H32N2S — CID 88619651

IUPACbis(triethylazanium);sulfide
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.[S-2]
InChIInChI=1S/2C6H15N.S/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;/q;;-2/p+2
InChIKeyVEYWNTOTXYHRII-UHFFFAOYSA-P
MW236.47 g/mol
LogP-0.14
Rot. Bonds6

About bis(triethylazanium);sulfide

bis(triethylazanium);sulfide (PubChem CID 88619651) has the molecular formula C12H32N2S and a molecular weight of 236.47 g/mol. Its IUPAC name is bis(triethylazanium);sulfide.

Molecular Properties

Compound Namebis(triethylazanium);sulfide
PubChem CID88619651
Molecular FormulaC12H32N2S
Molecular Weight236.47 g/mol
Exact Mass236.23
IUPAC Namebis(triethylazanium);sulfide
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.[S-2]
InChIInChI=1S/2C6H15N.S/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;/q;;-2/p+2
InChIKeyVEYWNTOTXYHRII-UHFFFAOYSA-P
XLogP-0.14
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(triethylazanium);sulfide?
The IUPAC name of bis(triethylazanium);sulfide (CID 88619651) is bis(triethylazanium);sulfide.
What is the SMILES notation for bis(triethylazanium);sulfide?
The canonical SMILES for bis(triethylazanium);sulfide is CC[NH+](CC)CC.CC[NH+](CC)CC.[S-2].
What is the InChIKey of bis(triethylazanium);sulfide?
The InChIKey is VEYWNTOTXYHRII-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H15N.S/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;/q;;-2/p+2.
What are the key properties of bis(triethylazanium);sulfide?
bis(triethylazanium);sulfide has a molecular weight of 236.47 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triethylazanium);sulfide is sourced from PubChem (CID 88619651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).