1-ethoxyphenoxathiine 10,10-dioxide

C14H12O4S — CID 10564394

IUPAC1-ethoxyphenoxathiine 10,10-dioxide
SMILESCCOc1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H12O4S/c1-2-17-11-7-5-8-12-14(11)19(15,16)13-9-4-3-6-10(13)18-12/h3-9H,2H2,1H3
InChIKeyVVIYUPUZHWUDQW-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.02
Rot. Bonds2

About 1-ethoxyphenoxathiine 10,10-dioxide

1-ethoxyphenoxathiine 10,10-dioxide (PubChem CID 10564394) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-ethoxyphenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-ethoxyphenoxathiine 10,10-dioxide
PubChem CID10564394
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name1-ethoxyphenoxathiine 10,10-dioxide
SMILESCCOc1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H12O4S/c1-2-17-11-7-5-8-12-14(11)19(15,16)13-9-4-3-6-10(13)18-12/h3-9H,2H2,1H3
InChIKeyVVIYUPUZHWUDQW-UHFFFAOYSA-N
XLogP3.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenoxathiin, 10,10-dioxide
CID 70369
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
Cx-157
CID 18687754
1-Iodo-phenoxathiine 10,10-dioxide
CID 10594538
2-Methoxy-phenoxathiine 10,10-dioxide
CID 10587547
2-Ethoxy-phenoxathiine 10,10-dioxide
CID 10850054
2,3-Dihydro-1,4lambda6-benzoxathiine-4,4-dione
CID 21075455
1-Methoxyphenoxathiine 10,10-dioxide
CID 44307402
10,10-Dioxophenoxathiin-1-ol
CID 44307411
(10,10-Dioxophenoxathiin-1-yl)-trimethylsilane
CID 10590636
(10,10-Dioxophenoxathiin-1-yl) acetate
CID 10684898
2-(10,10-dioxophenoxathiin-1-yl)oxy-N,N-dimethylethanamine
CID 10687103

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyphenoxathiine 10,10-dioxide?
The IUPAC name of 1-ethoxyphenoxathiine 10,10-dioxide (CID 10564394) is 1-ethoxyphenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-ethoxyphenoxathiine 10,10-dioxide?
The canonical SMILES for 1-ethoxyphenoxathiine 10,10-dioxide is CCOc1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-ethoxyphenoxathiine 10,10-dioxide?
The InChIKey is VVIYUPUZHWUDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c1-2-17-11-7-5-8-12-14(11)19(15,16)13-9-4-3-6-10(13)18-12/h3-9H,2H2,1H3.
What are the key properties of 1-ethoxyphenoxathiine 10,10-dioxide?
1-ethoxyphenoxathiine 10,10-dioxide has a molecular weight of 276.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyphenoxathiine 10,10-dioxide is sourced from PubChem (CID 10564394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).