5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one

C9H9N3O2S2 — CID 13362891

IUPAC5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one
SMILESCSC1=NS(=O)N(c2ccccc2)C(=O)N1
InChIInChI=1S/C9H9N3O2S2/c1-15-8-10-9(13)12(16(14)11-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,13)
InChIKeyFCZUPDFXEDCEBE-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.51
Rot. Bonds1

About 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one

5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one (PubChem CID 13362891) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one.

Molecular Properties

Compound Name5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one
PubChem CID13362891
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one
SMILESCSC1=NS(=O)N(c2ccccc2)C(=O)N1
InChIInChI=1S/C9H9N3O2S2/c1-15-8-10-9(13)12(16(14)11-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,13)
InChIKeyFCZUPDFXEDCEBE-UHFFFAOYSA-N
XLogP1.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methylsulfanyl-2-phenyl-4H-1,2,4-triazol-3-one
CID 137222124
(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
CID 129385795
(4aS,5R,7aR)-5-acetyl-3-methylsulfanyl-7-phenyl-2,4a,5,7a-tetrahydro-1H-pyrrolo[3,2-e][1,2,4]triazin-6-one
CID 40607511
(4aR,5S,7aS)-5-acetyl-3-methylsulfanyl-7-phenyl-2,4a,5,7a-tetrahydro-1H-pyrrolo[3,2-e][1,2,4]triazin-6-one
CID 98426080
5,5-diethyl-2-phenyl-1,2,4-triazolidin-3-one
CID 14708555
2-methylsulfanyl-1-phenyl-4H-imidazol-5-one iodide
CID 21176733
5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide
CID 13185263
4-chloro-2,5-bis(4-methylphenyl)-3-phenyl-1,2,6-thiadiazine 1-oxide
CID 135052753
3-methylsulfanyl-1-phenylpyrazin-2-one
CID 146074847
4,6-dimethyl-3,7-bis(methylsulfanyl)-8-phenyl-1λ4,2-dithia-8-azabicyclo[3.3.0]octa-1(5),3,6-triene
CID 134908433
(4Z)-4-benzylidene-5,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135580499
methylsulfanyl(triphenyl)silane
CID 4091811

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one?
The IUPAC name of 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one (CID 13362891) is 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one.
What is the SMILES notation for 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one?
The canonical SMILES for 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one is CSC1=NS(=O)N(c2ccccc2)C(=O)N1.
What is the InChIKey of 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one?
The InChIKey is FCZUPDFXEDCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-15-8-10-9(13)12(16(14)11-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,13).
What are the key properties of 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one?
5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one has a molecular weight of 255.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-oxo-2-phenyl-4H-1,2,4,6-thiatriazin-3-one is sourced from PubChem (CID 13362891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).