4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

C9H7NO4S — CID 685539

IUPAC4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESO=C1NS(=O)(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C9H7NO4S/c11-7-8(6-4-2-1-3-5-6)15(13,14)10-9(7)12/h1-5,11H,(H,10,12)
InChIKeyAPSZXPLAWLMADT-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.37
Rot. Bonds1

About 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 685539) has the molecular formula C9H7NO4S and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID685539
Molecular FormulaC9H7NO4S
Molecular Weight225.22 g/mol
Exact Mass225.01
IUPAC Name4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESO=C1NS(=O)(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C9H7NO4S/c11-7-8(6-4-2-1-3-5-6)15(13,14)10-9(7)12/h1-5,11H,(H,10,12)
InChIKeyAPSZXPLAWLMADT-UHFFFAOYSA-N
XLogP0.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Xrtskrbkmfjbjv-uhfffaoysa-
CID 13373975
1-Oxo-5-phenyl-1,2-thiazol-3-one
CID 146833326
4-Hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 13186358
4-methyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 13373974
Hydroxycinnamic acid amide
CID 66968846
4-Hydroxy-5-phenyl-3(2h)-isothiazolone
CID 91228123
5-(3-Fluorophenyl)-4-hydroxy-1,1-dioxo-1,2-thiazol-3-one
CID 172410454
4-methyl-5-(4-methylphenyl)isothiazol-3(2H)-one 1,1-dioxide
CID 20886633
(E)-2-hydroxy-3-phenylprop-2-enamide
CID 18004080
5-(4-Chlorophenyl)-4-hydroxy-1,1-dioxo-1,2-thiazol-3-one
CID 20472406
4-Hydroxy-1,1-dioxo-5-(4-phenylphenyl)-1,2-thiazol-3-one
CID 20472411
5-(3,5-Diethylphenyl)-4-hydroxy-1,1-dioxo-1,2-thiazol-3-one
CID 20472412

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 685539) is 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is O=C1NS(=O)(=O)C(c2ccccc2)=C1O.
What is the InChIKey of 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is APSZXPLAWLMADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c11-7-8(6-4-2-1-3-5-6)15(13,14)10-9(7)12/h1-5,11H,(H,10,12).
What are the key properties of 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 225.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 685539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).