2-(4-chlorophenyl)-1,3-thiazine-4,6-dione

C10H6ClNO2S — CID 914941

IUPAC2-(4-chlorophenyl)-1,3-thiazine-4,6-dione
SMILESO=C1CC(=O)SC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)10-12-8(13)5-9(14)15-10/h1-4H,5H2
InChIKeyLNXOSXDVIAYMTG-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.28
Rot. Bonds1

About 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione

2-(4-chlorophenyl)-1,3-thiazine-4,6-dione (PubChem CID 914941) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-thiazine-4,6-dione
PubChem CID914941
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name2-(4-chlorophenyl)-1,3-thiazine-4,6-dione
SMILESO=C1CC(=O)SC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)10-12-8(13)5-9(14)15-10/h1-4H,5H2
InChIKeyLNXOSXDVIAYMTG-UHFFFAOYSA-N
XLogP2.28
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1,3-Thiazine-6-one-4-ol, 2-(4-chlorophenyl)-
CID 135418574
5-(4-Chlorophenyl)-1,2,4-dithiazol-3-one
CID 12365796
2-phenyl-4H-1,3-thiazine-4,6(5H)-dione
CID 1114649
2-(4-Chlorophenyl)-1,3-thiazole-4,5-dione
CID 12365789
2-(4-chlorophenyl)-4H-1,3-thiazol-5-one
CID 12868618
2-Phenyl-5,5-di-methyl-5,6-dihydro-4h-1,3-thiazine-4,6-dione
CID 121002782
(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 164672822
2-(5-Chloro-2-fluorophenyl)-1,3-thiazol-4-one
CID 130501119
2-(2-Chloro-4-fluorophenyl)-1,3-thiazol-4-one
CID 130501302
2-(4-Chloro-2-fluorophenyl)-1,3-thiazol-4-one
CID 130501303
2-(4-Chlorophenyl)-4(5H)-thiazolone
CID 101608111
2-(2,6-Dichlorophenyl)-1,3-thiazine-4,6-dione
CID 154130173

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione?
The IUPAC name of 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione (CID 914941) is 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione is O=C1CC(=O)SC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione?
The InChIKey is LNXOSXDVIAYMTG-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/h1-4H,5H2.
What are the key properties of 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione?
2-(4-chlorophenyl)-1,3-thiazine-4,6-dione has a molecular weight of 239.68 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3-thiazine-4,6-dione is sourced from PubChem (CID 914941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).