azanylidyneazanium;methanesulfonate

CH4N2O3S — CID 19097166

IUPACazanylidyneazanium;methanesulfonate
SMILESCS(=O)(=O)[O-].N#[NH+]
InChIInChI=1S/CH4O3S.N2/c1-5(2,3)4;1-2/h1H3,(H,2,3,4);
InChIKeyQEPBOPUGWNOBMQ-UHFFFAOYSA-N
MW124.12 g/mol
LogP-2.56
Rot. Bonds

About azanylidyneazanium;methanesulfonate

azanylidyneazanium;methanesulfonate (PubChem CID 19097166) has the molecular formula CH4N2O3S and a molecular weight of 124.12 g/mol. Its IUPAC name is azanylidyneazanium;methanesulfonate.

Molecular Properties

Compound Nameazanylidyneazanium;methanesulfonate
PubChem CID19097166
Molecular FormulaCH4N2O3S
Molecular Weight124.12 g/mol
Exact Mass123.99
IUPAC Nameazanylidyneazanium;methanesulfonate
SMILESCS(=O)(=O)[O-].N#[NH+]
InChIInChI=1S/CH4O3S.N2/c1-5(2,3)4;1-2/h1H3,(H,2,3,4);
InChIKeyQEPBOPUGWNOBMQ-UHFFFAOYSA-N
XLogP-2.56
TPSA104.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 5-2.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonate;silver
CID 15907847
cadmium(2+);methanesulfonate
CID 15443099
holmium(3+);methanesulfonate
CID 141092776
azanylidyneazanium disulfate
CID 19044657
gold(3+);methanesulfonate
CID 140522406
methanesulfonate;hydrobromide
CID 18469443
aluminum methanesulfonate
CID 46209605
iron(2+);iron(3+);methanesulfonate
CID 21257627
bismuth;methanesulfonate;tin(4+)
CID 159941826
dipotassium;methanesulfonate;chloride
CID 19881899
cerium(4+);methanesulfonate;dihydroxide;hydrate
CID 173386213
copper;acetonitrile;methanesulfonate;hydrofluoride
CID 174949440

Frequently Asked Questions

What is the IUPAC name of azanylidyneazanium;methanesulfonate?
The IUPAC name of azanylidyneazanium;methanesulfonate (CID 19097166) is azanylidyneazanium;methanesulfonate.
What is the SMILES notation for azanylidyneazanium;methanesulfonate?
The canonical SMILES for azanylidyneazanium;methanesulfonate is CS(=O)(=O)[O-].N#[NH+].
What is the InChIKey of azanylidyneazanium;methanesulfonate?
The InChIKey is QEPBOPUGWNOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.N2/c1-5(2,3)4;1-2/h1H3,(H,2,3,4);.
What are the key properties of azanylidyneazanium;methanesulfonate?
azanylidyneazanium;methanesulfonate has a molecular weight of 124.12 g/mol, XLogP of -2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneazanium;methanesulfonate is sourced from PubChem (CID 19097166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).