2-methoxyphenoxathiine 10,10-dioxide

C13H10O4S — CID 10587547

IUPAC2-methoxyphenoxathiine 10,10-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C13H10O4S/c1-16-9-6-7-11-13(8-9)18(14,15)12-5-3-2-4-10(12)17-11/h2-8H,1H3
InChIKeyJRVMEXROBIHYGZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.63
Rot. Bonds1

About 2-methoxyphenoxathiine 10,10-dioxide

2-methoxyphenoxathiine 10,10-dioxide (PubChem CID 10587547) has the molecular formula C13H10O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-methoxyphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name2-methoxyphenoxathiine 10,10-dioxide
PubChem CID10587547
Molecular FormulaC13H10O4S
Molecular Weight262.29 g/mol
Exact Mass262.03
IUPAC Name2-methoxyphenoxathiine 10,10-dioxide
SMILESCOc1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C13H10O4S/c1-16-9-6-7-11-13(8-9)18(14,15)12-5-3-2-4-10(12)17-11/h2-8H,1H3
InChIKeyJRVMEXROBIHYGZ-UHFFFAOYSA-N
XLogP2.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyphenoxathiine 10,10-dioxide?
The IUPAC name of 2-methoxyphenoxathiine 10,10-dioxide (CID 10587547) is 2-methoxyphenoxathiine 10,10-dioxide.
What is the SMILES notation for 2-methoxyphenoxathiine 10,10-dioxide?
The canonical SMILES for 2-methoxyphenoxathiine 10,10-dioxide is COc1ccc2c(c1)S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 2-methoxyphenoxathiine 10,10-dioxide?
The InChIKey is JRVMEXROBIHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4S/c1-16-9-6-7-11-13(8-9)18(14,15)12-5-3-2-4-10(12)17-11/h2-8H,1H3.
What are the key properties of 2-methoxyphenoxathiine 10,10-dioxide?
2-methoxyphenoxathiine 10,10-dioxide has a molecular weight of 262.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10587547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).