ethanol;methanamine;sulfuric acid

C4H18N2O5S — CID 174912363

IUPACethanol;methanamine;sulfuric acid
SMILESCCO.CN.CN.O=S(=O)(O)O
InChIInChI=1S/C2H6O.2CH5N.H2O4S/c1-2-3;2*1-2;1-5(2,3)4/h3H,2H2,1H3;2*2H2,1H3;(H2,1,2,3,4)
InChIKeyBRICHQJXEYTGLW-UHFFFAOYSA-N
MW206.26 g/mol
LogP-1.50
Rot. Bonds

About ethanol;methanamine;sulfuric acid

ethanol;methanamine;sulfuric acid (PubChem CID 174912363) has the molecular formula C4H18N2O5S and a molecular weight of 206.26 g/mol. Its IUPAC name is ethanol;methanamine;sulfuric acid.

Molecular Properties

Compound Nameethanol;methanamine;sulfuric acid
PubChem CID174912363
Molecular FormulaC4H18N2O5S
Molecular Weight206.26 g/mol
Exact Mass206.09
IUPAC Nameethanol;methanamine;sulfuric acid
SMILESCCO.CN.CN.O=S(=O)(O)O
InChIInChI=1S/C2H6O.2CH5N.H2O4S/c1-2-3;2*1-2;1-5(2,3)4/h3H,2H2,1H3;2*2H2,1H3;(H2,1,2,3,4)
InChIKeyBRICHQJXEYTGLW-UHFFFAOYSA-N
XLogP-1.50
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanol;methanamine;sulfuric acid?
The IUPAC name of ethanol;methanamine;sulfuric acid (CID 174912363) is ethanol;methanamine;sulfuric acid.
What is the SMILES notation for ethanol;methanamine;sulfuric acid?
The canonical SMILES for ethanol;methanamine;sulfuric acid is CCO.CN.CN.O=S(=O)(O)O.
What is the InChIKey of ethanol;methanamine;sulfuric acid?
The InChIKey is BRICHQJXEYTGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.2CH5N.H2O4S/c1-2-3;2*1-2;1-5(2,3)4/h3H,2H2,1H3;2*2H2,1H3;(H2,1,2,3,4).
What are the key properties of ethanol;methanamine;sulfuric acid?
ethanol;methanamine;sulfuric acid has a molecular weight of 206.26 g/mol, XLogP of -1.50, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methanamine;sulfuric acid is sourced from PubChem (CID 174912363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).