1-hydrazinylideneethanesulfinic acid

C2H6N2O2S — CID 154220697

IUPAC1-hydrazinylideneethanesulfinic acid
SMILESCC(=NN)S(=O)O
InChIInChI=1S/C2H6N2O2S/c1-2(4-3)7(5)6/h3H2,1H3,(H,5,6)
InChIKeyWQUVONRGXCKIKP-UHFFFAOYSA-N
MW122.15 g/mol
LogP-0.50
Rot. Bonds

About 1-hydrazinylideneethanesulfinic acid

1-hydrazinylideneethanesulfinic acid (PubChem CID 154220697) has the molecular formula C2H6N2O2S and a molecular weight of 122.15 g/mol. Its IUPAC name is 1-hydrazinylideneethanesulfinic acid.

Molecular Properties

Compound Name1-hydrazinylideneethanesulfinic acid
PubChem CID154220697
Molecular FormulaC2H6N2O2S
Molecular Weight122.15 g/mol
Exact Mass122.01
IUPAC Name1-hydrazinylideneethanesulfinic acid
SMILESCC(=NN)S(=O)O
InChIInChI=1S/C2H6N2O2S/c1-2(4-3)7(5)6/h3H2,1H3,(H,5,6)
InChIKeyWQUVONRGXCKIKP-UHFFFAOYSA-N
XLogP-0.50
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydrazinylideneethanesulfinic acid?
The IUPAC name of 1-hydrazinylideneethanesulfinic acid (CID 154220697) is 1-hydrazinylideneethanesulfinic acid.
What is the SMILES notation for 1-hydrazinylideneethanesulfinic acid?
The canonical SMILES for 1-hydrazinylideneethanesulfinic acid is CC(=NN)S(=O)O.
What is the InChIKey of 1-hydrazinylideneethanesulfinic acid?
The InChIKey is WQUVONRGXCKIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2S/c1-2(4-3)7(5)6/h3H2,1H3,(H,5,6).
What are the key properties of 1-hydrazinylideneethanesulfinic acid?
1-hydrazinylideneethanesulfinic acid has a molecular weight of 122.15 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylideneethanesulfinic acid is sourced from PubChem (CID 154220697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).