dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane

C7H9O4S- — CID 91517981

IUPACdihydroxy-(4-methoxyphenyl)-oxido-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/p-1
InChIKeyOAIGYQVVDLDHIM-UHFFFAOYSA-M
MW189.21 g/mol
LogP1.94
Rot. Bonds2

About dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane

dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane (PubChem CID 91517981) has the molecular formula C7H9O4S- and a molecular weight of 189.21 g/mol. Its IUPAC name is dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane
PubChem CID91517981
Molecular FormulaC7H9O4S-
Molecular Weight189.21 g/mol
Exact Mass189.02
IUPAC Namedihydroxy-(4-methoxyphenyl)-oxido-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/p-1
InChIKeyOAIGYQVVDLDHIM-UHFFFAOYSA-M
XLogP1.94
TPSA72.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane?
The IUPAC name of dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane (CID 91517981) is dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane.
What is the SMILES notation for dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane?
The canonical SMILES for dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane is COc1ccc(S([O-])(O)O)cc1.
What is the InChIKey of dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane?
The InChIKey is OAIGYQVVDLDHIM-UHFFFAOYSA-M. 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/p-1.
What are the key properties of dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane?
dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane has a molecular weight of 189.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane is sourced from PubChem (CID 91517981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).