[(E)-ethylideneamino] hydrogen sulfite

C2H5NO3S — CID 130220622

IUPAC[(E)-ethylideneamino] hydrogen sulfite
SMILESC/C=N/OS(=O)O
InChIInChI=1S/C2H5NO3S/c1-2-3-6-7(4)5/h2H,1H3,(H,4,5)/b3-2+
InChIKeyFJIYWMPFROSNIG-NSCUHMNNSA-N
MW123.13 g/mol
LogP0.15
Rot. Bonds2

About [(E)-ethylideneamino] hydrogen sulfite

[(E)-ethylideneamino] hydrogen sulfite (PubChem CID 130220622) has the molecular formula C2H5NO3S and a molecular weight of 123.13 g/mol. Its IUPAC name is [(E)-ethylideneamino] hydrogen sulfite.

Molecular Properties

Compound Name[(E)-ethylideneamino] hydrogen sulfite
PubChem CID130220622
Molecular FormulaC2H5NO3S
Molecular Weight123.13 g/mol
Exact Mass123.00
IUPAC Name[(E)-ethylideneamino] hydrogen sulfite
SMILESC/C=N/OS(=O)O
InChIInChI=1S/C2H5NO3S/c1-2-3-6-7(4)5/h2H,1H3,(H,4,5)/b3-2+
InChIKeyFJIYWMPFROSNIG-NSCUHMNNSA-N
XLogP0.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 50.15
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'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[(E)-ethylideneamino] methanesulfinate
CID 20647996
(1E)-methylsulfinamoyloxyiminoethane
CID 89222351
acetaldehyde;amino hydrogen sulfite
CID 87411142
[(E)-ethylideneamino]oxymethanediol
CID 172983770
[(E)-ethylideneamino] carbamate
CID 141143420
2-[(Z)-ethylideneamino]oxyethanamine
CID 158601365
(Z)-N-ethoxyethanimine
CID 5466565
ethylideneurea;sulfurous acid
CID 174973219
[(E)-but-2-enyl] hydrogen sulfite
CID 87156182
[(E)-ethylideneamino] 2,2-dimethylpropanoate
CID 166590786
[(E)-2-methylbut-2-enyl] hydrogen sulfite
CID 118684400
silver;sulfino hydrogen sulfite
CID 174707247

Frequently Asked Questions

What is the IUPAC name of [(E)-ethylideneamino] hydrogen sulfite?
The IUPAC name of [(E)-ethylideneamino] hydrogen sulfite (CID 130220622) is [(E)-ethylideneamino] hydrogen sulfite.
What is the SMILES notation for [(E)-ethylideneamino] hydrogen sulfite?
The canonical SMILES for [(E)-ethylideneamino] hydrogen sulfite is C/C=N/OS(=O)O.
What is the InChIKey of [(E)-ethylideneamino] hydrogen sulfite?
The InChIKey is FJIYWMPFROSNIG-NSCUHMNNSA-N. The full InChI is InChI=1S/C2H5NO3S/c1-2-3-6-7(4)5/h2H,1H3,(H,4,5)/b3-2+.
What are the key properties of [(E)-ethylideneamino] hydrogen sulfite?
[(E)-ethylideneamino] hydrogen sulfite has a molecular weight of 123.13 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-ethylideneamino] hydrogen sulfite is sourced from PubChem (CID 130220622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).