(10R)-3-ethylphenoxathiine 10-oxide

C14H12O2S — CID 10752822

IUPAC(10R)-3-ethylphenoxathiine 10-oxide
SMILESCCc1ccc2c(c1)Oc1ccccc1[S@]2=O
InChIInChI=1S/C14H12O2S/c1-2-10-7-8-14-12(9-10)16-11-5-3-4-6-13(11)17(14)15/h3-9H,2H2,1H3/t17-/m1/s1
InChIKeyBQJREPACXANOEP-QGZVFWFLSA-N
MW244.31 g/mol
LogP3.52
Rot. Bonds1

About (10R)-3-ethylphenoxathiine 10-oxide

(10R)-3-ethylphenoxathiine 10-oxide (PubChem CID 10752822) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is (10R)-3-ethylphenoxathiine 10-oxide.

Molecular Properties

Compound Name(10R)-3-ethylphenoxathiine 10-oxide
PubChem CID10752822
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name(10R)-3-ethylphenoxathiine 10-oxide
SMILESCCc1ccc2c(c1)Oc1ccccc1[S@]2=O
InChIInChI=1S/C14H12O2S/c1-2-10-7-8-14-12(9-10)16-11-5-3-4-6-13(11)17(14)15/h3-9H,2H2,1H3/t17-/m1/s1
InChIKeyBQJREPACXANOEP-QGZVFWFLSA-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 ≤ 500244.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10R)-3-ethylphenoxathiine 10-oxide?
The IUPAC name of (10R)-3-ethylphenoxathiine 10-oxide (CID 10752822) is (10R)-3-ethylphenoxathiine 10-oxide.
What is the SMILES notation for (10R)-3-ethylphenoxathiine 10-oxide?
The canonical SMILES for (10R)-3-ethylphenoxathiine 10-oxide is CCc1ccc2c(c1)Oc1ccccc1[S@]2=O.
What is the InChIKey of (10R)-3-ethylphenoxathiine 10-oxide?
The InChIKey is BQJREPACXANOEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C14H12O2S/c1-2-10-7-8-14-12(9-10)16-11-5-3-4-6-13(11)17(14)15/h3-9H,2H2,1H3/t17-/m1/s1.
What are the key properties of (10R)-3-ethylphenoxathiine 10-oxide?
(10R)-3-ethylphenoxathiine 10-oxide has a molecular weight of 244.31 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 (10R)-3-ethylphenoxathiine 10-oxide is sourced from PubChem (CID 10752822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).