(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane

C14H14O4S2 — CID 102121635

IUPAC(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane
SMILESCOc1ccc(OS(=O)(=S)c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O4S2/c1-16-11-3-5-13(6-4-11)18-20(15,19)14-9-7-12(17-2)8-10-14/h3-10H,1-2H3
InChIKeyISZOLUKXXVSADB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.80
Rot. Bonds5

About (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane

(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane (PubChem CID 102121635) has the molecular formula C14H14O4S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane
PubChem CID102121635
Molecular FormulaC14H14O4S2
Molecular Weight310.40 g/mol
Exact Mass310.03
IUPAC Name(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane
SMILESCOc1ccc(OS(=O)(=S)c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O4S2/c1-16-11-3-5-13(6-4-11)18-20(15,19)14-9-7-12(17-2)8-10-14/h3-10H,1-2H3
InChIKeyISZOLUKXXVSADB-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
4-methoxybenzenesulfonyl iodide
CID 23080708
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
(4-methoxyphenyl) hydroxymethanesulfonate
CID 140999217
trihydroxy-(4-methoxyphenyl)-λ4-sulfane
CID 91517982
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane (CID 102121635) is (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane is COc1ccc(OS(=O)(=S)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is ISZOLUKXXVSADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S2/c1-16-11-3-5-13(6-4-11)18-20(15,19)14-9-7-12(17-2)8-10-14/h3-10H,1-2H3.
What are the key properties of (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane?
(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 310.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 102121635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).