2-hydrazinylethanesulfinate

C2H7N2O2S- — CID 123233640

IUPAC2-hydrazinylethanesulfinate
SMILESNNCCS(=O)[O-]
InChIInChI=1S/C2H8N2O2S/c3-4-1-2-7(5)6/h4H,1-3H2,(H,5,6)/p-1
InChIKeyMMVBPUZMKSQFET-UHFFFAOYSA-M
MW123.16 g/mol
LogP-1.67
Rot. Bonds3

About 2-hydrazinylethanesulfinate

2-hydrazinylethanesulfinate (PubChem CID 123233640) has the molecular formula C2H7N2O2S- and a molecular weight of 123.16 g/mol. Its IUPAC name is 2-hydrazinylethanesulfinate.

Molecular Properties

Compound Name2-hydrazinylethanesulfinate
PubChem CID123233640
Molecular FormulaC2H7N2O2S-
Molecular Weight123.16 g/mol
Exact Mass123.02
IUPAC Name2-hydrazinylethanesulfinate
SMILESNNCCS(=O)[O-]
InChIInChI=1S/C2H8N2O2S/c3-4-1-2-7(5)6/h4H,1-3H2,(H,5,6)/p-1
InChIKeyMMVBPUZMKSQFET-UHFFFAOYSA-M
XLogP-1.67
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 2-hydrazinylethanesulfinate?
The IUPAC name of 2-hydrazinylethanesulfinate (CID 123233640) is 2-hydrazinylethanesulfinate.
What is the SMILES notation for 2-hydrazinylethanesulfinate?
The canonical SMILES for 2-hydrazinylethanesulfinate is NNCCS(=O)[O-].
What is the InChIKey of 2-hydrazinylethanesulfinate?
The InChIKey is MMVBPUZMKSQFET-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H8N2O2S/c3-4-1-2-7(5)6/h4H,1-3H2,(H,5,6)/p-1.
What are the key properties of 2-hydrazinylethanesulfinate?
2-hydrazinylethanesulfinate has a molecular weight of 123.16 g/mol, XLogP of -1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylethanesulfinate is sourced from PubChem (CID 123233640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).