azane;methanol;sulfuric acid;hydrate

CH14N2O6S — CID 174924142

IUPACazane;methanol;sulfuric acid;hydrate
SMILESCO.N.N.O.O=S(=O)(O)O
InChIInChI=1S/CH4O.2H3N.H2O4S.H2O/c1-2;;;1-5(2,3)4;/h2H,1H3;2*1H3;(H2,1,2,3,4);1H2
InChIKeyMIAJFGRRTFUXGO-UHFFFAOYSA-N
MW182.20 g/mol
LogP-1.54
Rot. Bonds

About azane;methanol;sulfuric acid;hydrate

azane;methanol;sulfuric acid;hydrate (PubChem CID 174924142) has the molecular formula CH14N2O6S and a molecular weight of 182.20 g/mol. Its IUPAC name is azane;methanol;sulfuric acid;hydrate.

Molecular Properties

Compound Nameazane;methanol;sulfuric acid;hydrate
PubChem CID174924142
Molecular FormulaCH14N2O6S
Molecular Weight182.20 g/mol
Exact Mass182.06
IUPAC Nameazane;methanol;sulfuric acid;hydrate
SMILESCO.N.N.O.O=S(=O)(O)O
InChIInChI=1S/CH4O.2H3N.H2O4S.H2O/c1-2;;;1-5(2,3)4;/h2H,1H3;2*1H3;(H2,1,2,3,4);1H2
InChIKeyMIAJFGRRTFUXGO-UHFFFAOYSA-N
XLogP-1.54
TPSA196.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze azane;methanol;sulfuric acid;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;sulfuric acid;hexahydrate
CID 173404062
methanol;sulfuric acid
CID 174902694
azane;nickel;sulfuric acid;hexahydrate
CID 131859332
sulfuric acid;tridecahydrate
CID 71366893
azane;sulfuric acid
CID 173165368
azane;hydrazine;sulfuric acid;hydrate
CID 174464189
azane;methanesulfonic acid;hydrate
CID 141152760
chromium;sulfuric acid;tetrahydrate
CID 173200783
platinum;sulfuric acid;tetrahydrate
CID 131883452
azane;manganese;sulfuric acid
CID 173191641
methane;sulfuric acid;hydrate
CID 174518914
iron;sulfuric acid;octahydrate
CID 175169666

Frequently Asked Questions

What is the IUPAC name of azane;methanol;sulfuric acid;hydrate?
The IUPAC name of azane;methanol;sulfuric acid;hydrate (CID 174924142) is azane;methanol;sulfuric acid;hydrate.
What is the SMILES notation for azane;methanol;sulfuric acid;hydrate?
The canonical SMILES for azane;methanol;sulfuric acid;hydrate is CO.N.N.O.O=S(=O)(O)O.
What is the InChIKey of azane;methanol;sulfuric acid;hydrate?
The InChIKey is MIAJFGRRTFUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.2H3N.H2O4S.H2O/c1-2;;;1-5(2,3)4;/h2H,1H3;2*1H3;(H2,1,2,3,4);1H2.
What are the key properties of azane;methanol;sulfuric acid;hydrate?
azane;methanol;sulfuric acid;hydrate has a molecular weight of 182.20 g/mol, XLogP of -1.54, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methanol;sulfuric acid;hydrate is sourced from PubChem (CID 174924142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).