[(E)-ethylideneamino]sulfinamoyloxybenzene

C8H10N2O2S — CID 20692818

IUPAC[(E)-ethylideneamino]sulfinamoyloxybenzene
SMILESC/C=N/NS(=O)Oc1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-2-9-10-13(11)12-8-6-4-3-5-7-8/h2-7,10H,1H3/b9-2+
InChIKeyFHORQPXDIYWPTE-XNWCZRBMSA-N
MW198.25 g/mol
LogP1.24
Rot. Bonds4

About [(E)-ethylideneamino]sulfinamoyloxybenzene

[(E)-ethylideneamino]sulfinamoyloxybenzene (PubChem CID 20692818) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is [(E)-ethylideneamino]sulfinamoyloxybenzene.

Molecular Properties

Compound Name[(E)-ethylideneamino]sulfinamoyloxybenzene
PubChem CID20692818
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name[(E)-ethylideneamino]sulfinamoyloxybenzene
SMILESC/C=N/NS(=O)Oc1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-2-9-10-13(11)12-8-6-4-3-5-7-8/h2-7,10H,1H3/b9-2+
InChIKeyFHORQPXDIYWPTE-XNWCZRBMSA-N
XLogP1.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-ethylideneamino]sulfinamoyloxybenzene?
The IUPAC name of [(E)-ethylideneamino]sulfinamoyloxybenzene (CID 20692818) is [(E)-ethylideneamino]sulfinamoyloxybenzene.
What is the SMILES notation for [(E)-ethylideneamino]sulfinamoyloxybenzene?
The canonical SMILES for [(E)-ethylideneamino]sulfinamoyloxybenzene is C/C=N/NS(=O)Oc1ccccc1.
What is the InChIKey of [(E)-ethylideneamino]sulfinamoyloxybenzene?
The InChIKey is FHORQPXDIYWPTE-XNWCZRBMSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-9-10-13(11)12-8-6-4-3-5-7-8/h2-7,10H,1H3/b9-2+.
What are the key properties of [(E)-ethylideneamino]sulfinamoyloxybenzene?
[(E)-ethylideneamino]sulfinamoyloxybenzene has a molecular weight of 198.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-ethylideneamino]sulfinamoyloxybenzene is sourced from PubChem (CID 20692818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).