2-phenyl-1,3-thiazine-4,6-dione

C10H7NO2S — CID 1114649

IUPAC2-phenyl-1,3-thiazine-4,6-dione
SMILESO=C1CC(=O)SC(c2ccccc2)=N1
InChIInChI=1S/C10H7NO2S/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyPTJBLPXLUHWILX-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.62
Rot. Bonds1

About 2-phenyl-1,3-thiazine-4,6-dione

2-phenyl-1,3-thiazine-4,6-dione (PubChem CID 1114649) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-phenyl-1,3-thiazine-4,6-dione.

Molecular Properties

Compound Name2-phenyl-1,3-thiazine-4,6-dione
PubChem CID1114649
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name2-phenyl-1,3-thiazine-4,6-dione
SMILESO=C1CC(=O)SC(c2ccccc2)=N1
InChIInChI=1S/C10H7NO2S/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyPTJBLPXLUHWILX-UHFFFAOYSA-N
XLogP1.62
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.62
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-phenyl-1,3-thiazine-4,6-dione?
The IUPAC name of 2-phenyl-1,3-thiazine-4,6-dione (CID 1114649) is 2-phenyl-1,3-thiazine-4,6-dione.
What is the SMILES notation for 2-phenyl-1,3-thiazine-4,6-dione?
The canonical SMILES for 2-phenyl-1,3-thiazine-4,6-dione is O=C1CC(=O)SC(c2ccccc2)=N1.
What is the InChIKey of 2-phenyl-1,3-thiazine-4,6-dione?
The InChIKey is PTJBLPXLUHWILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-8-6-9(13)14-10(11-8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-phenyl-1,3-thiazine-4,6-dione?
2-phenyl-1,3-thiazine-4,6-dione has a molecular weight of 205.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-thiazine-4,6-dione is sourced from PubChem (CID 1114649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).