bis(triethylazanium);sulfite

C12H32N2O3S — CID 14718431

IUPACbis(triethylazanium);sulfite
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=S([O-])[O-]
InChIInChI=1S/2C6H15N.H2O3S/c2*1-4-7(5-2)6-3;1-4(2)3/h2*4-6H2,1-3H3;(H2,1,2,3)
InChIKeyFDCPZJRFIPCMOL-UHFFFAOYSA-N
MW284.47 g/mol
LogP-1.14
Rot. Bonds6

About bis(triethylazanium);sulfite

bis(triethylazanium);sulfite (PubChem CID 14718431) has the molecular formula C12H32N2O3S and a molecular weight of 284.47 g/mol. Its IUPAC name is bis(triethylazanium);sulfite.

Molecular Properties

Compound Namebis(triethylazanium);sulfite
PubChem CID14718431
Molecular FormulaC12H32N2O3S
Molecular Weight284.47 g/mol
Exact Mass284.21
IUPAC Namebis(triethylazanium);sulfite
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=S([O-])[O-]
InChIInChI=1S/2C6H15N.H2O3S/c2*1-4-7(5-2)6-3;1-4(2)3/h2*4-6H2,1-3H3;(H2,1,2,3)
InChIKeyFDCPZJRFIPCMOL-UHFFFAOYSA-N
XLogP-1.14
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(triethylazanium);sulfite?
The IUPAC name of bis(triethylazanium);sulfite (CID 14718431) is bis(triethylazanium);sulfite.
What is the SMILES notation for bis(triethylazanium);sulfite?
The canonical SMILES for bis(triethylazanium);sulfite is CC[NH+](CC)CC.CC[NH+](CC)CC.O=S([O-])[O-].
What is the InChIKey of bis(triethylazanium);sulfite?
The InChIKey is FDCPZJRFIPCMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.H2O3S/c2*1-4-7(5-2)6-3;1-4(2)3/h2*4-6H2,1-3H3;(H2,1,2,3).
What are the key properties of bis(triethylazanium);sulfite?
bis(triethylazanium);sulfite has a molecular weight of 284.47 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triethylazanium);sulfite is sourced from PubChem (CID 14718431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).