5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one

C10H6BrNO2S — CID 135494497

IUPAC5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one
SMILESO=c1sc(-c2ccccc2)nc(O)c1Br
InChIInChI=1S/C10H6BrNO2S/c11-7-8(13)12-9(15-10(7)14)6-4-2-1-3-5-6/h1-5,13H
InChIKeyNEMIDZYDSHCIAR-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.64
Rot. Bonds1

About 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one

5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one (PubChem CID 135494497) has the molecular formula C10H6BrNO2S and a molecular weight of 284.13 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one
PubChem CID135494497
Molecular FormulaC10H6BrNO2S
Molecular Weight284.13 g/mol
Exact Mass282.93
IUPAC Name5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one
SMILESO=c1sc(-c2ccccc2)nc(O)c1Br
InChIInChI=1S/C10H6BrNO2S/c11-7-8(13)12-9(15-10(7)14)6-4-2-1-3-5-6/h1-5,13H
InChIKeyNEMIDZYDSHCIAR-UHFFFAOYSA-N
XLogP2.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one (CID 135494497) is 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one is O=c1sc(-c2ccccc2)nc(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one?
The InChIKey is NEMIDZYDSHCIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2S/c11-7-8(13)12-9(15-10(7)14)6-4-2-1-3-5-6/h1-5,13H.
What are the key properties of 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one?
5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one has a molecular weight of 284.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-phenyl-1,3-thiazin-6-one is sourced from PubChem (CID 135494497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).