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

C10H5Cl2NO2S — CID 154130173

IUPAC2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione
SMILESO=C1CC(=O)SC(c2c(Cl)cccc2Cl)=N1
InChIInChI=1S/C10H5Cl2NO2S/c11-5-2-1-3-6(12)9(5)10-13-7(14)4-8(15)16-10/h1-3H,4H2
InChIKeyDPAWSOYYQKZTIA-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.93
Rot. Bonds1

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

2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione (PubChem CID 154130173) has the molecular formula C10H5Cl2NO2S and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione
PubChem CID154130173
Molecular FormulaC10H5Cl2NO2S
Molecular Weight274.13 g/mol
Exact Mass272.94
IUPAC Name2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione
SMILESO=C1CC(=O)SC(c2c(Cl)cccc2Cl)=N1
InChIInChI=1S/C10H5Cl2NO2S/c11-5-2-1-3-6(12)9(5)10-13-7(14)4-8(15)16-10/h1-3H,4H2
InChIKeyDPAWSOYYQKZTIA-UHFFFAOYSA-N
XLogP2.93
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione?
The IUPAC name of 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione (CID 154130173) is 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione is O=C1CC(=O)SC(c2c(Cl)cccc2Cl)=N1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione?
The InChIKey is DPAWSOYYQKZTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2S/c11-5-2-1-3-6(12)9(5)10-13-7(14)4-8(15)16-10/h1-3H,4H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione?
2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione has a molecular weight of 274.13 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1,3-thiazine-4,6-dione is sourced from PubChem (CID 154130173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).