azane;methane;sulfuric acid

CH11NO8S2 — CID 174862240

IUPACazane;methane;sulfuric acid
SMILESC.N.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/CH4.H3N.2H2O4S/c;;2*1-5(2,3)4/h1H4;1H3;2*(H2,1,2,3,4)
InChIKeyPYDVXAISNYJGAD-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.51
Rot. Bonds

About azane;methane;sulfuric acid

azane;methane;sulfuric acid (PubChem CID 174862240) has the molecular formula CH11NO8S2 and a molecular weight of 229.23 g/mol. Its IUPAC name is azane;methane;sulfuric acid.

Molecular Properties

Compound Nameazane;methane;sulfuric acid
PubChem CID174862240
Molecular FormulaCH11NO8S2
Molecular Weight229.23 g/mol
Exact Mass228.99
IUPAC Nameazane;methane;sulfuric acid
SMILESC.N.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/CH4.H3N.2H2O4S/c;;2*1-5(2,3)4/h1H4;1H3;2*(H2,1,2,3,4)
InChIKeyPYDVXAISNYJGAD-UHFFFAOYSA-N
XLogP-0.51
TPSA184.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.51
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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Related Compounds

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azane;sulfuric acid;hexahydrate
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Frequently Asked Questions

What is the IUPAC name of azane;methane;sulfuric acid?
The IUPAC name of azane;methane;sulfuric acid (CID 174862240) is azane;methane;sulfuric acid.
What is the SMILES notation for azane;methane;sulfuric acid?
The canonical SMILES for azane;methane;sulfuric acid is C.N.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of azane;methane;sulfuric acid?
The InChIKey is PYDVXAISNYJGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.H3N.2H2O4S/c;;2*1-5(2,3)4/h1H4;1H3;2*(H2,1,2,3,4).
What are the key properties of azane;methane;sulfuric acid?
azane;methane;sulfuric acid has a molecular weight of 229.23 g/mol, XLogP of -0.51, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methane;sulfuric acid is sourced from PubChem (CID 174862240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).