2-aminoethenyl hydrogen sulfite

C2H5NO3S — CID 174363043

IUPAC2-aminoethenyl hydrogen sulfite
SMILESNC=COS(=O)O
InChIInChI=1S/C2H5NO3S/c3-1-2-6-7(4)5/h1-2H,3H2,(H,4,5)
InChIKeyZMISGDCDMCLVIP-UHFFFAOYSA-N
MW123.13 g/mol
LogP-0.43
Rot. Bonds2

About 2-aminoethenyl hydrogen sulfite

2-aminoethenyl hydrogen sulfite (PubChem CID 174363043) has the molecular formula C2H5NO3S and a molecular weight of 123.13 g/mol. Its IUPAC name is 2-aminoethenyl hydrogen sulfite.

Molecular Properties

Compound Name2-aminoethenyl hydrogen sulfite
PubChem CID174363043
Molecular FormulaC2H5NO3S
Molecular Weight123.13 g/mol
Exact Mass123.00
IUPAC Name2-aminoethenyl hydrogen sulfite
SMILESNC=COS(=O)O
InChIInChI=1S/C2H5NO3S/c3-1-2-6-7(4)5/h1-2H,3H2,(H,4,5)
InChIKeyZMISGDCDMCLVIP-UHFFFAOYSA-N
XLogP-0.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethenyl hydrogen sulfite?
The IUPAC name of 2-aminoethenyl hydrogen sulfite (CID 174363043) is 2-aminoethenyl hydrogen sulfite.
What is the SMILES notation for 2-aminoethenyl hydrogen sulfite?
The canonical SMILES for 2-aminoethenyl hydrogen sulfite is NC=COS(=O)O.
What is the InChIKey of 2-aminoethenyl hydrogen sulfite?
The InChIKey is ZMISGDCDMCLVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3S/c3-1-2-6-7(4)5/h1-2H,3H2,(H,4,5).
What are the key properties of 2-aminoethenyl hydrogen sulfite?
2-aminoethenyl hydrogen sulfite has a molecular weight of 123.13 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethenyl hydrogen sulfite is sourced from PubChem (CID 174363043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).