azidoethane;methanesulfonic acid

C3H9N3O3S — CID 123670862

IUPACazidoethane;methanesulfonic acid
SMILESCCN=[N+]=[N-].CS(=O)(=O)O
InChIInChI=1S/C2H5N3.CH4O3S/c1-2-4-5-3;1-5(2,3)4/h2H2,1H3;1H3,(H,2,3,4)
InChIKeyCZCPOFZFEZVLBO-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.82
Rot. Bonds1

About azidoethane;methanesulfonic acid

azidoethane;methanesulfonic acid (PubChem CID 123670862) has the molecular formula C3H9N3O3S and a molecular weight of 167.19 g/mol. Its IUPAC name is azidoethane;methanesulfonic acid.

Molecular Properties

Compound Nameazidoethane;methanesulfonic acid
PubChem CID123670862
Molecular FormulaC3H9N3O3S
Molecular Weight167.19 g/mol
Exact Mass167.04
IUPAC Nameazidoethane;methanesulfonic acid
SMILESCCN=[N+]=[N-].CS(=O)(=O)O
InChIInChI=1S/C2H5N3.CH4O3S/c1-2-4-5-3;1-5(2,3)4/h2H2,1H3;1H3,(H,2,3,4)
InChIKeyCZCPOFZFEZVLBO-UHFFFAOYSA-N
XLogP0.82
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze azidoethane;methanesulfonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azidoethane;methanesulfonic acid?
The IUPAC name of azidoethane;methanesulfonic acid (CID 123670862) is azidoethane;methanesulfonic acid.
What is the SMILES notation for azidoethane;methanesulfonic acid?
The canonical SMILES for azidoethane;methanesulfonic acid is CCN=[N+]=[N-].CS(=O)(=O)O.
What is the InChIKey of azidoethane;methanesulfonic acid?
The InChIKey is CZCPOFZFEZVLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3.CH4O3S/c1-2-4-5-3;1-5(2,3)4/h2H2,1H3;1H3,(H,2,3,4).
What are the key properties of azidoethane;methanesulfonic acid?
azidoethane;methanesulfonic acid has a molecular weight of 167.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azidoethane;methanesulfonic acid is sourced from PubChem (CID 123670862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).