acetaldehyde;amino hydrogen sulfite

C2H7NO4S — CID 87411142

IUPACacetaldehyde;amino hydrogen sulfite
SMILESCC=O.NOS(=O)O
InChIInChI=1S/C2H4O.H3NO3S/c1-2-3;1-4-5(2)3/h2H,1H3;1H2,(H,2,3)
InChIKeyUXALNVHBKDYXTL-UHFFFAOYSA-N
MW141.15 g/mol
LogP-0.78
Rot. Bonds1

About acetaldehyde;amino hydrogen sulfite

acetaldehyde;amino hydrogen sulfite (PubChem CID 87411142) has the molecular formula C2H7NO4S and a molecular weight of 141.15 g/mol. Its IUPAC name is acetaldehyde;amino hydrogen sulfite.

Molecular Properties

Compound Nameacetaldehyde;amino hydrogen sulfite
PubChem CID87411142
Molecular FormulaC2H7NO4S
Molecular Weight141.15 g/mol
Exact Mass141.01
IUPAC Nameacetaldehyde;amino hydrogen sulfite
SMILESCC=O.NOS(=O)O
InChIInChI=1S/C2H4O.H3NO3S/c1-2-3;1-4-5(2)3/h2H,1H3;1H2,(H,2,3)
InChIKeyUXALNVHBKDYXTL-UHFFFAOYSA-N
XLogP-0.78
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 acetaldehyde;amino hydrogen sulfite?
The IUPAC name of acetaldehyde;amino hydrogen sulfite (CID 87411142) is acetaldehyde;amino hydrogen sulfite.
What is the SMILES notation for acetaldehyde;amino hydrogen sulfite?
The canonical SMILES for acetaldehyde;amino hydrogen sulfite is CC=O.NOS(=O)O.
What is the InChIKey of acetaldehyde;amino hydrogen sulfite?
The InChIKey is UXALNVHBKDYXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.H3NO3S/c1-2-3;1-4-5(2)3/h2H,1H3;1H2,(H,2,3).
What are the key properties of acetaldehyde;amino hydrogen sulfite?
acetaldehyde;amino hydrogen sulfite has a molecular weight of 141.15 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;amino hydrogen sulfite is sourced from PubChem (CID 87411142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).