1,9-dimethylphenoxathiine 10,10-dioxide

C14H12O3S — CID 10563288

IUPAC1,9-dimethylphenoxathiine 10,10-dioxide
SMILESCc1cccc2c1S(=O)(=O)c1c(C)cccc1O2
InChIInChI=1S/C14H12O3S/c1-9-5-3-7-11-13(9)18(15,16)14-10(2)6-4-8-12(14)17-11/h3-8H,1-2H3
InChIKeyNOKCEDABPMZOHS-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.24
Rot. Bonds

About 1,9-dimethylphenoxathiine 10,10-dioxide

1,9-dimethylphenoxathiine 10,10-dioxide (PubChem CID 10563288) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1,9-dimethylphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1,9-dimethylphenoxathiine 10,10-dioxide
PubChem CID10563288
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name1,9-dimethylphenoxathiine 10,10-dioxide
SMILESCc1cccc2c1S(=O)(=O)c1c(C)cccc1O2
InChIInChI=1S/C14H12O3S/c1-9-5-3-7-11-13(9)18(15,16)14-10(2)6-4-8-12(14)17-11/h3-8H,1-2H3
InChIKeyNOKCEDABPMZOHS-UHFFFAOYSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dimethylphenoxathiine 10,10-dioxide?
The IUPAC name of 1,9-dimethylphenoxathiine 10,10-dioxide (CID 10563288) is 1,9-dimethylphenoxathiine 10,10-dioxide.
What is the SMILES notation for 1,9-dimethylphenoxathiine 10,10-dioxide?
The canonical SMILES for 1,9-dimethylphenoxathiine 10,10-dioxide is Cc1cccc2c1S(=O)(=O)c1c(C)cccc1O2.
What is the InChIKey of 1,9-dimethylphenoxathiine 10,10-dioxide?
The InChIKey is NOKCEDABPMZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-9-5-3-7-11-13(9)18(15,16)14-10(2)6-4-8-12(14)17-11/h3-8H,1-2H3.
What are the key properties of 1,9-dimethylphenoxathiine 10,10-dioxide?
1,9-dimethylphenoxathiine 10,10-dioxide has a molecular weight of 260.31 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethylphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10563288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).