diazomethane;bis(2-methylpropane-2-sulfonic acid)

C9H22N2O6S2 — CID 158705247

IUPACdiazomethane;bis(2-methylpropane-2-sulfonic acid)
SMILESC=[N+]=[N-].CC(C)(C)S(=O)(=O)O.CC(C)(C)S(=O)(=O)O
InChIInChI=1S/2C4H10O3S.CH2N2/c2*1-4(2,3)8(5,6)7;1-3-2/h2*1-3H3,(H,5,6,7);1H2
InChIKeyIIAMMHTYCWRABS-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.26
Rot. Bonds

About diazomethane;bis(2-methylpropane-2-sulfonic acid)

diazomethane;bis(2-methylpropane-2-sulfonic acid) (PubChem CID 158705247) has the molecular formula C9H22N2O6S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is diazomethane;bis(2-methylpropane-2-sulfonic acid).

Molecular Properties

Compound Namediazomethane;bis(2-methylpropane-2-sulfonic acid)
PubChem CID158705247
Molecular FormulaC9H22N2O6S2
Molecular Weight318.42 g/mol
Exact Mass318.09
IUPAC Namediazomethane;bis(2-methylpropane-2-sulfonic acid)
SMILESC=[N+]=[N-].CC(C)(C)S(=O)(=O)O.CC(C)(C)S(=O)(=O)O
InChIInChI=1S/2C4H10O3S.CH2N2/c2*1-4(2,3)8(5,6)7;1-3-2/h2*1-3H3,(H,5,6,7);1H2
InChIKeyIIAMMHTYCWRABS-UHFFFAOYSA-N
XLogP1.26
TPSA145.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazomethane;bis(2-methylpropane-2-sulfonic acid)?
The IUPAC name of diazomethane;bis(2-methylpropane-2-sulfonic acid) (CID 158705247) is diazomethane;bis(2-methylpropane-2-sulfonic acid).
What is the SMILES notation for diazomethane;bis(2-methylpropane-2-sulfonic acid)?
The canonical SMILES for diazomethane;bis(2-methylpropane-2-sulfonic acid) is C=[N+]=[N-].CC(C)(C)S(=O)(=O)O.CC(C)(C)S(=O)(=O)O.
What is the InChIKey of diazomethane;bis(2-methylpropane-2-sulfonic acid)?
The InChIKey is IIAMMHTYCWRABS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O3S.CH2N2/c2*1-4(2,3)8(5,6)7;1-3-2/h2*1-3H3,(H,5,6,7);1H2.
What are the key properties of diazomethane;bis(2-methylpropane-2-sulfonic acid)?
diazomethane;bis(2-methylpropane-2-sulfonic acid) has a molecular weight of 318.42 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazomethane;bis(2-methylpropane-2-sulfonic acid) is sourced from PubChem (CID 158705247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).