hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane

C7H8O3S2 — CID 6912594

IUPAChydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
SMILESCOc1ccc(S(=O)(O)=S)cc1
InChIInChI=1S/C7H8O3S2/c1-10-6-2-4-7(5-3-6)12(8,9)11/h2-5H,1H3,(H,8,9,11)
InChIKeyXVPCNGDMHAIYOB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.27
Rot. Bonds2

About hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane

hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane (PubChem CID 6912594) has the molecular formula C7H8O3S2 and a molecular weight of 204.27 g/mol. Its IUPAC name is hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane.

Molecular Properties

Compound Namehydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
PubChem CID6912594
Molecular FormulaC7H8O3S2
Molecular Weight204.27 g/mol
Exact Mass203.99
IUPAC Namehydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
SMILESCOc1ccc(S(=O)(O)=S)cc1
InChIInChI=1S/C7H8O3S2/c1-10-6-2-4-7(5-3-6)12(8,9)11/h2-5H,1H3,(H,8,9,11)
InChIKeyXVPCNGDMHAIYOB-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane
CID 102121635
trihydroxy-(4-methoxyphenyl)-λ4-sulfane
CID 91517982
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane
CID 91517981
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
4-methoxybenzenesulfonyl iodide
CID 23080708
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)-N-(4-methoxyphenyl)anilino]benzenesulfonic acid
CID 146021321
(4-methoxyphenyl)sulfonyl N,N-dimethylcarbamodithioate
CID 101124243
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002

Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane?
The IUPAC name of hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane (CID 6912594) is hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane.
What is the SMILES notation for hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane?
The canonical SMILES for hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane is COc1ccc(S(=O)(O)=S)cc1.
What is the InChIKey of hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane?
The InChIKey is XVPCNGDMHAIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S2/c1-10-6-2-4-7(5-3-6)12(8,9)11/h2-5H,1H3,(H,8,9,11).
What are the key properties of hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane?
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane has a molecular weight of 204.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane is sourced from PubChem (CID 6912594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).