hydrogen sulfite;tetramethylazanium

C4H13NO3S — CID 21187123

IUPAChydrogen sulfite;tetramethylazanium
SMILESC[N+](C)(C)C.O=S([O-])O
InChIInChI=1S/C4H12N.H2O3S/c1-5(2,3)4;1-4(2)3/h1-4H3;(H2,1,2,3)/q+1;/p-1
InChIKeyBSPCDVNIYGDPPA-UHFFFAOYSA-M
MW155.22 g/mol
LogP-0.34
Rot. Bonds

About hydrogen sulfite;tetramethylazanium

hydrogen sulfite;tetramethylazanium (PubChem CID 21187123) has the molecular formula C4H13NO3S and a molecular weight of 155.22 g/mol. Its IUPAC name is hydrogen sulfite;tetramethylazanium.

Molecular Properties

Compound Namehydrogen sulfite;tetramethylazanium
PubChem CID21187123
Molecular FormulaC4H13NO3S
Molecular Weight155.22 g/mol
Exact Mass155.06
IUPAC Namehydrogen sulfite;tetramethylazanium
SMILESC[N+](C)(C)C.O=S([O-])O
InChIInChI=1S/C4H12N.H2O3S/c1-5(2,3)4;1-4(2)3/h1-4H3;(H2,1,2,3)/q+1;/p-1
InChIKeyBSPCDVNIYGDPPA-UHFFFAOYSA-M
XLogP-0.34
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;tetramethylazanium?
The IUPAC name of hydrogen sulfite;tetramethylazanium (CID 21187123) is hydrogen sulfite;tetramethylazanium.
What is the SMILES notation for hydrogen sulfite;tetramethylazanium?
The canonical SMILES for hydrogen sulfite;tetramethylazanium is C[N+](C)(C)C.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;tetramethylazanium?
The InChIKey is BSPCDVNIYGDPPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.H2O3S/c1-5(2,3)4;1-4(2)3/h1-4H3;(H2,1,2,3)/q+1;/p-1.
What are the key properties of hydrogen sulfite;tetramethylazanium?
hydrogen sulfite;tetramethylazanium has a molecular weight of 155.22 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;tetramethylazanium is sourced from PubChem (CID 21187123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).