4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol

C9H6BrNO4S — CID 117190288

IUPAC4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol
SMILESO=S1(=O)C(Br)=CN=C1Oc1ccc(O)cc1
InChIInChI=1S/C9H6BrNO4S/c10-8-5-11-9(16(8,13)14)15-7-3-1-6(12)2-4-7/h1-5,12H
InChIKeyXCLIUMBKFRHESN-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.75
Rot. Bonds1

About 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol

4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol (PubChem CID 117190288) has the molecular formula C9H6BrNO4S and a molecular weight of 304.12 g/mol. Its IUPAC name is 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol.

Molecular Properties

Compound Name4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol
PubChem CID117190288
Molecular FormulaC9H6BrNO4S
Molecular Weight304.12 g/mol
Exact Mass302.92
IUPAC Name4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol
SMILESO=S1(=O)C(Br)=CN=C1Oc1ccc(O)cc1
InChIInChI=1S/C9H6BrNO4S/c10-8-5-11-9(16(8,13)14)15-7-3-1-6(12)2-4-7/h1-5,12H
InChIKeyXCLIUMBKFRHESN-UHFFFAOYSA-N
XLogP1.75
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3-methoxyphenoxy)-1,3-thiazole 1,1-dioxide
CID 117190266
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
4-[(7,7-dioxo-7λ6-thiabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)oxy]phenol
CID 141005878
4-[(5-bromo-2-pyridinyl)oxy]phenol
CID 12940619
ethane-1,2-diol;4-(4-hydroxyphenoxy)phenol
CID 68628937
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-(4-iodophenoxy)phenol
CID 12940617
4-(4-hydroxyphenoxy)benzamide
CID 60869896
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
CID 14710986
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol?
The IUPAC name of 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol (CID 117190288) is 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol.
What is the SMILES notation for 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol?
The canonical SMILES for 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol is O=S1(=O)C(Br)=CN=C1Oc1ccc(O)cc1.
What is the InChIKey of 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol?
The InChIKey is XCLIUMBKFRHESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO4S/c10-8-5-11-9(16(8,13)14)15-7-3-1-6(12)2-4-7/h1-5,12H.
What are the key properties of 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol?
4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol has a molecular weight of 304.12 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1,1-dioxo-1,3-thiazol-2-yl)oxy]phenol is sourced from PubChem (CID 117190288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).