ethoxyethane;phenyl hydrogen sulfite

C10H16O4S — CID 67022432

IUPACethoxyethane;phenyl hydrogen sulfite
SMILESCCOCC.O=S(O)Oc1ccccc1
InChIInChI=1S/C6H6O3S.C4H10O/c7-10(8)9-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,7,8);3-4H2,1-2H3
InChIKeyZLOJCWLFFZDFLS-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.24
Rot. Bonds4

About ethoxyethane;phenyl hydrogen sulfite

ethoxyethane;phenyl hydrogen sulfite (PubChem CID 67022432) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is ethoxyethane;phenyl hydrogen sulfite.

Molecular Properties

Compound Nameethoxyethane;phenyl hydrogen sulfite
PubChem CID67022432
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Nameethoxyethane;phenyl hydrogen sulfite
SMILESCCOCC.O=S(O)Oc1ccccc1
InChIInChI=1S/C6H6O3S.C4H10O/c7-10(8)9-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,7,8);3-4H2,1-2H3
InChIKeyZLOJCWLFFZDFLS-UHFFFAOYSA-N
XLogP2.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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CID 174520847
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CID 67230205
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CID 118022944
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
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(4-octadecylphenyl) hydrogen sulfite
CID 66609171
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CID 173158807
ethoxyethane benzoate
CID 22178435
benzylbenzene;ethoxyethane
CID 69148831
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CID 14972829

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;phenyl hydrogen sulfite?
The IUPAC name of ethoxyethane;phenyl hydrogen sulfite (CID 67022432) is ethoxyethane;phenyl hydrogen sulfite.
What is the SMILES notation for ethoxyethane;phenyl hydrogen sulfite?
The canonical SMILES for ethoxyethane;phenyl hydrogen sulfite is CCOCC.O=S(O)Oc1ccccc1.
What is the InChIKey of ethoxyethane;phenyl hydrogen sulfite?
The InChIKey is ZLOJCWLFFZDFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S.C4H10O/c7-10(8)9-6-4-2-1-3-5-6;1-3-5-4-2/h1-5H,(H,7,8);3-4H2,1-2H3.
What are the key properties of ethoxyethane;phenyl hydrogen sulfite?
ethoxyethane;phenyl hydrogen sulfite has a molecular weight of 232.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;phenyl hydrogen sulfite is sourced from PubChem (CID 67022432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).