1-ethenylphenoxathiine 10,10-dioxide

C14H10O3S — CID 10038124

IUPAC1-ethenylphenoxathiine 10,10-dioxide
SMILESC=Cc1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H10O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h2-9H,1H2
InChIKeyOKEITXXEAYZCOA-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.27
Rot. Bonds1

About 1-ethenylphenoxathiine 10,10-dioxide

1-ethenylphenoxathiine 10,10-dioxide (PubChem CID 10038124) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-ethenylphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-ethenylphenoxathiine 10,10-dioxide
PubChem CID10038124
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name1-ethenylphenoxathiine 10,10-dioxide
SMILESC=Cc1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H10O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h2-9H,1H2
InChIKeyOKEITXXEAYZCOA-UHFFFAOYSA-N
XLogP3.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylphenoxathiine 10,10-dioxide?
The IUPAC name of 1-ethenylphenoxathiine 10,10-dioxide (CID 10038124) is 1-ethenylphenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-ethenylphenoxathiine 10,10-dioxide?
The canonical SMILES for 1-ethenylphenoxathiine 10,10-dioxide is C=Cc1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-ethenylphenoxathiine 10,10-dioxide?
The InChIKey is OKEITXXEAYZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h2-9H,1H2.
What are the key properties of 1-ethenylphenoxathiine 10,10-dioxide?
1-ethenylphenoxathiine 10,10-dioxide has a molecular weight of 258.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10038124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).