trihydroxy-(4-methoxyphenyl)-λ4-sulfane

C7H10O4S — CID 91517982

IUPACtrihydroxy-(4-methoxyphenyl)-λ4-sulfane
SMILESCOc1ccc(S(O)(O)O)cc1
InChIInChI=1S/C7H10O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5,8-10H,1H3
InChIKeyOAIGYQVVDLDHIM-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.28
Rot. Bonds2

About trihydroxy-(4-methoxyphenyl)-λ4-sulfane

trihydroxy-(4-methoxyphenyl)-λ4-sulfane (PubChem CID 91517982) has the molecular formula C7H10O4S and a molecular weight of 190.22 g/mol. Its IUPAC name is trihydroxy-(4-methoxyphenyl)-λ4-sulfane.

Molecular Properties

Compound Nametrihydroxy-(4-methoxyphenyl)-λ4-sulfane
PubChem CID91517982
Molecular FormulaC7H10O4S
Molecular Weight190.22 g/mol
Exact Mass190.03
IUPAC Nametrihydroxy-(4-methoxyphenyl)-λ4-sulfane
SMILESCOc1ccc(S(O)(O)O)cc1
InChIInChI=1S/C7H10O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5,8-10H,1H3
InChIKeyOAIGYQVVDLDHIM-UHFFFAOYSA-N
XLogP2.28
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane
CID 91517981
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)-N-(4-methoxyphenyl)anilino]benzenesulfonic acid
CID 146021321
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
4-methoxybenzenesulfonyl iodide
CID 23080708
1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
CID 170080996
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
methane;4-methoxyphenol
CID 159494332

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(4-methoxyphenyl)-λ4-sulfane?
The IUPAC name of trihydroxy-(4-methoxyphenyl)-λ4-sulfane (CID 91517982) is trihydroxy-(4-methoxyphenyl)-λ4-sulfane.
What is the SMILES notation for trihydroxy-(4-methoxyphenyl)-λ4-sulfane?
The canonical SMILES for trihydroxy-(4-methoxyphenyl)-λ4-sulfane is COc1ccc(S(O)(O)O)cc1.
What is the InChIKey of trihydroxy-(4-methoxyphenyl)-λ4-sulfane?
The InChIKey is OAIGYQVVDLDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5,8-10H,1H3.
What are the key properties of trihydroxy-(4-methoxyphenyl)-λ4-sulfane?
trihydroxy-(4-methoxyphenyl)-λ4-sulfane has a molecular weight of 190.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(4-methoxyphenyl)-λ4-sulfane is sourced from PubChem (CID 91517982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).