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

C9H7NO3S — CID 13373975

IUPAC1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccccc2)S(=O)(=O)N1
InChIInChI=1S/C9H7NO3S/c11-9-6-8(14(12,13)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKeyXRTSKRBKMFJBJV-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.49
Rot. Bonds1

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

1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 13373975) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID13373975
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccccc2)S(=O)(=O)N1
InChIInChI=1S/C9H7NO3S/c11-9-6-8(14(12,13)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKeyXRTSKRBKMFJBJV-UHFFFAOYSA-N
XLogP0.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 13373975) is 1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 1,1-dioxo-5-phenyl-1,2-thiazol-3-one is O=C1C=C(c2ccccc2)S(=O)(=O)N1.
What is the InChIKey of 1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is XRTSKRBKMFJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-9-6-8(14(12,13)10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11).
What are the key properties of 1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 209.23 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 13373975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).