5-phenyl-1,2,6-thiadiazine-3,4-dione

C9H6N2O2S — CID 66572232

IUPAC5-phenyl-1,2,6-thiadiazine-3,4-dione
SMILESO=c1[nH]snc(-c2ccccc2)c1=O
InChIInChI=1S/C9H6N2O2S/c12-8-7(10-14-11-9(8)13)6-4-2-1-3-5-6/h1-5H,(H,11,13)
InChIKeyLCDRSYUZGODZRJ-UHFFFAOYSA-N
MW206.23 g/mol
LogP0.86
Rot. Bonds1

About 5-phenyl-1,2,6-thiadiazine-3,4-dione

5-phenyl-1,2,6-thiadiazine-3,4-dione (PubChem CID 66572232) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 5-phenyl-1,2,6-thiadiazine-3,4-dione.

Molecular Properties

Compound Name5-phenyl-1,2,6-thiadiazine-3,4-dione
PubChem CID66572232
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name5-phenyl-1,2,6-thiadiazine-3,4-dione
SMILESO=c1[nH]snc(-c2ccccc2)c1=O
InChIInChI=1S/C9H6N2O2S/c12-8-7(10-14-11-9(8)13)6-4-2-1-3-5-6/h1-5H,(H,11,13)
InChIKeyLCDRSYUZGODZRJ-UHFFFAOYSA-N
XLogP0.86
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-3-yl-1,2,5-thiadiazol-3-one
CID 70007227
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4,5-diphenyl-2H-triazole
CID 613500
5-bromo-3-phenyl-1H-pyrazin-2-one
CID 20528924
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901
5-bromo-4-phenyl-1H-pyrimidin-6-one
CID 135502028
3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
CID 134908518
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
2-oxido-3,4-diphenyl-1,2,5-thiadiazol-2-ium
CID 23279319
ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one
CID 165356399

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2,6-thiadiazine-3,4-dione?
The IUPAC name of 5-phenyl-1,2,6-thiadiazine-3,4-dione (CID 66572232) is 5-phenyl-1,2,6-thiadiazine-3,4-dione.
What is the SMILES notation for 5-phenyl-1,2,6-thiadiazine-3,4-dione?
The canonical SMILES for 5-phenyl-1,2,6-thiadiazine-3,4-dione is O=c1[nH]snc(-c2ccccc2)c1=O.
What is the InChIKey of 5-phenyl-1,2,6-thiadiazine-3,4-dione?
The InChIKey is LCDRSYUZGODZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-8-7(10-14-11-9(8)13)6-4-2-1-3-5-6/h1-5H,(H,11,13).
What are the key properties of 5-phenyl-1,2,6-thiadiazine-3,4-dione?
5-phenyl-1,2,6-thiadiazine-3,4-dione has a molecular weight of 206.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2,6-thiadiazine-3,4-dione is sourced from PubChem (CID 66572232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).