amino(imino)methanesulfinic acid;hydrogen peroxide

CH6N2O4S — CID 22283569

IUPACamino(imino)methanesulfinic acid;hydrogen peroxide
SMILESOO.[H]/N=C(\N)S(=O)O
InChIInChI=1S/CH4N2O2S.H2O2/c2-1(3)6(4)5;1-2/h(H3,2,3)(H,4,5);1-2H
InChIKeyWKXZYPAMFYWWDE-UHFFFAOYSA-N
MW142.14 g/mol
LogP-0.88
Rot. Bonds

About amino(imino)methanesulfinic acid;hydrogen peroxide

amino(imino)methanesulfinic acid;hydrogen peroxide (PubChem CID 22283569) has the molecular formula CH6N2O4S and a molecular weight of 142.14 g/mol. Its IUPAC name is amino(imino)methanesulfinic acid;hydrogen peroxide.

Molecular Properties

Compound Nameamino(imino)methanesulfinic acid;hydrogen peroxide
PubChem CID22283569
Molecular FormulaCH6N2O4S
Molecular Weight142.14 g/mol
Exact Mass142.00
IUPAC Nameamino(imino)methanesulfinic acid;hydrogen peroxide
SMILESOO.[H]/N=C(\N)S(=O)O
InChIInChI=1S/CH4N2O2S.H2O2/c2-1(3)6(4)5;1-2/h(H3,2,3)(H,4,5);1-2H
InChIKeyWKXZYPAMFYWWDE-UHFFFAOYSA-N
XLogP-0.88
TPSA127.63 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(imino)methanesulfinic acid;hydrogen peroxide?
The IUPAC name of amino(imino)methanesulfinic acid;hydrogen peroxide (CID 22283569) is amino(imino)methanesulfinic acid;hydrogen peroxide.
What is the SMILES notation for amino(imino)methanesulfinic acid;hydrogen peroxide?
The canonical SMILES for amino(imino)methanesulfinic acid;hydrogen peroxide is OO.[H]/N=C(\N)S(=O)O.
What is the InChIKey of amino(imino)methanesulfinic acid;hydrogen peroxide?
The InChIKey is WKXZYPAMFYWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O2S.H2O2/c2-1(3)6(4)5;1-2/h(H3,2,3)(H,4,5);1-2H.
What are the key properties of amino(imino)methanesulfinic acid;hydrogen peroxide?
amino(imino)methanesulfinic acid;hydrogen peroxide has a molecular weight of 142.14 g/mol, XLogP of -0.88, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino(imino)methanesulfinic acid;hydrogen peroxide is sourced from PubChem (CID 22283569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).