4,5-dihydroimidazol-1-yl methyl sulfite

C4H8N2O3S — CID 56973956

IUPAC4,5-dihydroimidazol-1-yl methyl sulfite
SMILESCOS(=O)ON1C=NCC1
InChIInChI=1S/C4H8N2O3S/c1-8-10(7)9-6-3-2-5-4-6/h4H,2-3H2,1H3
InChIKeyHABWSWCUXJRELZ-UHFFFAOYSA-N
MW164.19 g/mol
LogP-0.51
Rot. Bonds3

About 4,5-dihydroimidazol-1-yl methyl sulfite

4,5-dihydroimidazol-1-yl methyl sulfite (PubChem CID 56973956) has the molecular formula C4H8N2O3S and a molecular weight of 164.19 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yl methyl sulfite.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yl methyl sulfite
PubChem CID56973956
Molecular FormulaC4H8N2O3S
Molecular Weight164.19 g/mol
Exact Mass164.03
IUPAC Name4,5-dihydroimidazol-1-yl methyl sulfite
SMILESCOS(=O)ON1C=NCC1
InChIInChI=1S/C4H8N2O3S/c1-8-10(7)9-6-3-2-5-4-6/h4H,2-3H2,1H3
InChIKeyHABWSWCUXJRELZ-UHFFFAOYSA-N
XLogP-0.51
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-yl methyl sulfite?
The IUPAC name of 4,5-dihydroimidazol-1-yl methyl sulfite (CID 56973956) is 4,5-dihydroimidazol-1-yl methyl sulfite.
What is the SMILES notation for 4,5-dihydroimidazol-1-yl methyl sulfite?
The canonical SMILES for 4,5-dihydroimidazol-1-yl methyl sulfite is COS(=O)ON1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-yl methyl sulfite?
The InChIKey is HABWSWCUXJRELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3S/c1-8-10(7)9-6-3-2-5-4-6/h4H,2-3H2,1H3.
What are the key properties of 4,5-dihydroimidazol-1-yl methyl sulfite?
4,5-dihydroimidazol-1-yl methyl sulfite has a molecular weight of 164.19 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-yl methyl sulfite is sourced from PubChem (CID 56973956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).