2-ethylphenoxathiine 10,10-dioxide

C14H12O3S — CID 10848921

IUPAC2-ethylphenoxathiine 10,10-dioxide
SMILESCCc1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H12O3S/c1-2-10-7-8-12-14(9-10)18(15,16)13-6-4-3-5-11(13)17-12/h3-9H,2H2,1H3
InChIKeyHDRNHHBGLXBGMQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.19
Rot. Bonds1

About 2-ethylphenoxathiine 10,10-dioxide

2-ethylphenoxathiine 10,10-dioxide (PubChem CID 10848921) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-ethylphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name2-ethylphenoxathiine 10,10-dioxide
PubChem CID10848921
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name2-ethylphenoxathiine 10,10-dioxide
SMILESCCc1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H12O3S/c1-2-10-7-8-12-14(9-10)18(15,16)13-6-4-3-5-11(13)17-12/h3-9H,2H2,1H3
InChIKeyHDRNHHBGLXBGMQ-UHFFFAOYSA-N
XLogP3.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylphenoxathiine 10,10-dioxide?
The IUPAC name of 2-ethylphenoxathiine 10,10-dioxide (CID 10848921) is 2-ethylphenoxathiine 10,10-dioxide.
What is the SMILES notation for 2-ethylphenoxathiine 10,10-dioxide?
The canonical SMILES for 2-ethylphenoxathiine 10,10-dioxide is CCc1ccc2c(c1)S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 2-ethylphenoxathiine 10,10-dioxide?
The InChIKey is HDRNHHBGLXBGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-2-10-7-8-12-14(9-10)18(15,16)13-6-4-3-5-11(13)17-12/h3-9H,2H2,1H3.
What are the key properties of 2-ethylphenoxathiine 10,10-dioxide?
2-ethylphenoxathiine 10,10-dioxide has a molecular weight of 260.31 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10848921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).