(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane

C6H5ClO3S2 — CID 88814973

IUPAC(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO3S2/c7-5-1-3-6(4-2-5)10-12(8,9)11/h1-4H,(H,8,9,11)
InChIKeyICRJWAXVJCBIEF-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.85
Rot. Bonds2

About (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane

(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 88814973) has the molecular formula C6H5ClO3S2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID88814973
Molecular FormulaC6H5ClO3S2
Molecular Weight224.69 g/mol
Exact Mass223.94
IUPAC Name(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO3S2/c7-5-1-3-6(4-2-5)10-12(8,9)11/h1-4H,(H,8,9,11)
InChIKeyICRJWAXVJCBIEF-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane (CID 88814973) is (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane is O=S(O)(=S)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is ICRJWAXVJCBIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S2/c7-5-1-3-6(4-2-5)10-12(8,9)11/h1-4H,(H,8,9,11).
What are the key properties of (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane?
(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 224.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 88814973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).