2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one

C10H6ClNO2S — CID 135418574

IUPAC2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one
SMILESO=c1cc(O)nc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)10-12-8(13)5-9(14)15-10/h1-5,13H
InChIKeyXVGBBRBZACTKJH-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.53
Rot. Bonds1

About 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one

2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one (PubChem CID 135418574) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one
PubChem CID135418574
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one
SMILESO=c1cc(O)nc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)10-12-8(13)5-9(14)15-10/h1-5,13H
InChIKeyXVGBBRBZACTKJH-UHFFFAOYSA-N
XLogP2.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Thiazine-6-one-4-ol, 2-phenyl-
CID 135425122
2-(4-Chlorophenyl)-1,3-thiazole-4,5-dione
CID 12365789
2-(4-chlorophenyl)-4H-1,3-thiazol-5-one
CID 12868618
4-Chloro-2-phenyl-6h-1,3-thiazin-6-one
CID 13317403
5-Chloro-2-(4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
CID 135542491
2-(3-Chloro-4-fluorophenyl)-4-hydroxy-1,3-thiazin-6-one
CID 135837091
(Z)-4-(4-chlorobenzylidene)-2-phenylthiazol-5(4H)-one
CID 1734179
5-chloro-4-hydroxy-2-phenyl-6H-1,3-thiazin-6-one
CID 135422860
2-(4-Chlorophenyl)-4(5H)-thiazolone
CID 101608111
4-[(4-Chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one
CID 712140
2-(4-Chlorophenyl)-1,3-thiazine-4,6-dione
CID 914941
4-(4-chlorobenzylidene)-2-phenyl-1,3-thiazol-5(4H)-one
CID 1734178

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The IUPAC name of 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one (CID 135418574) is 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one is O=c1cc(O)nc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one?
The InChIKey is XVGBBRBZACTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)10-12-8(13)5-9(14)15-10/h1-5,13H.
What are the key properties of 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one?
2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one has a molecular weight of 239.68 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-hydroxy-1,3-thiazin-6-one is sourced from PubChem (CID 135418574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).