ethenyl phenyl sulfite

C8H8O3S — CID 151720739

IUPACethenyl phenyl sulfite
SMILESC=COS(=O)Oc1ccccc1
InChIInChI=1S/C8H8O3S/c1-2-10-12(9)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyRINHRVUGSGVPQR-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.80
Rot. Bonds4

About ethenyl phenyl sulfite

ethenyl phenyl sulfite (PubChem CID 151720739) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is ethenyl phenyl sulfite.

Molecular Properties

Compound Nameethenyl phenyl sulfite
PubChem CID151720739
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Nameethenyl phenyl sulfite
SMILESC=COS(=O)Oc1ccccc1
InChIInChI=1S/C8H8O3S/c1-2-10-12(9)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyRINHRVUGSGVPQR-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenoxysulfinyl 2-aminoacetate
CID 174683728
phenyl sulfite
CID 14972829
potassium phenyl sulfite
CID 162337240
sodium phenyl sulfite
CID 68748465
phenyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
CID 87155904
cyclopentyl phenyl sulfite
CID 150136179
phenyl prop-2-ynyl sulfite
CID 23117687
sodium;hydride;phenyl aminomethanesulfinate
CID 174802151
sodium;hydride;phenyl hydrogen sulfite
CID 174520847
sodium;azane;hydride;phenyl sulfite
CID 174915825
2,2,3,3,3-pentafluoropropyl phenyl sulfite
CID 87154398
phenyl 3,3,3-trifluoropropyl sulfite
CID 87155067

Frequently Asked Questions

What is the IUPAC name of ethenyl phenyl sulfite?
The IUPAC name of ethenyl phenyl sulfite (CID 151720739) is ethenyl phenyl sulfite.
What is the SMILES notation for ethenyl phenyl sulfite?
The canonical SMILES for ethenyl phenyl sulfite is C=COS(=O)Oc1ccccc1.
What is the InChIKey of ethenyl phenyl sulfite?
The InChIKey is RINHRVUGSGVPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S/c1-2-10-12(9)11-8-6-4-3-5-7-8/h2-7H,1H2.
What are the key properties of ethenyl phenyl sulfite?
ethenyl phenyl sulfite has a molecular weight of 184.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl phenyl sulfite is sourced from PubChem (CID 151720739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).