1-ethylphenoxathiine 10-oxide

C14H12O2S — CID 10776695

IUPAC1-ethylphenoxathiine 10-oxide
SMILESCCc1cccc2c1S(=O)c1ccccc1O2
InChIInChI=1S/C14H12O2S/c1-2-10-6-5-8-12-14(10)17(15)13-9-4-3-7-11(13)16-12/h3-9H,2H2,1H3
InChIKeyLOTFYWFSOKVVMS-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.52
Rot. Bonds1

About 1-ethylphenoxathiine 10-oxide

1-ethylphenoxathiine 10-oxide (PubChem CID 10776695) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-ethylphenoxathiine 10-oxide.

Molecular Properties

Compound Name1-ethylphenoxathiine 10-oxide
PubChem CID10776695
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name1-ethylphenoxathiine 10-oxide
SMILESCCc1cccc2c1S(=O)c1ccccc1O2
InChIInChI=1S/C14H12O2S/c1-2-10-6-5-8-12-14(10)17(15)13-9-4-3-7-11(13)16-12/h3-9H,2H2,1H3
InChIKeyLOTFYWFSOKVVMS-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylphenoxathiine 10-oxide?
The IUPAC name of 1-ethylphenoxathiine 10-oxide (CID 10776695) is 1-ethylphenoxathiine 10-oxide.
What is the SMILES notation for 1-ethylphenoxathiine 10-oxide?
The canonical SMILES for 1-ethylphenoxathiine 10-oxide is CCc1cccc2c1S(=O)c1ccccc1O2.
What is the InChIKey of 1-ethylphenoxathiine 10-oxide?
The InChIKey is LOTFYWFSOKVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-2-10-6-5-8-12-14(10)17(15)13-9-4-3-7-11(13)16-12/h3-9H,2H2,1H3.
What are the key properties of 1-ethylphenoxathiine 10-oxide?
1-ethylphenoxathiine 10-oxide has a molecular weight of 244.32 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylphenoxathiine 10-oxide is sourced from PubChem (CID 10776695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).