4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione

C7H7N3O2S2 — CID 10751888

IUPAC4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione
SMILESCN1C(=S)NS(=O)(=O)c2cnccc21
InChIInChI=1S/C7H7N3O2S2/c1-10-5-2-3-8-4-6(5)14(11,12)9-7(10)13/h2-4H,1H3,(H,9,13)
InChIKeyWVOBYUBSOATIGC-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.09
Rot. Bonds

About 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione

4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione (PubChem CID 10751888) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione.

Molecular Properties

Compound Name4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione
PubChem CID10751888
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione
SMILESCN1C(=S)NS(=O)(=O)c2cnccc21
InChIInChI=1S/C7H7N3O2S2/c1-10-5-2-3-8-4-6(5)14(11,12)9-7(10)13/h2-4H,1H3,(H,9,13)
InChIKeyWVOBYUBSOATIGC-UHFFFAOYSA-N
XLogP0.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione?
The IUPAC name of 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione (CID 10751888) is 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione.
What is the SMILES notation for 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione?
The canonical SMILES for 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione is CN1C(=S)NS(=O)(=O)c2cnccc21.
What is the InChIKey of 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione?
The InChIKey is WVOBYUBSOATIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c1-10-5-2-3-8-4-6(5)14(11,12)9-7(10)13/h2-4H,1H3,(H,9,13).
What are the key properties of 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione?
4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione has a molecular weight of 229.29 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxopyrido[4,3-e][1,2,4]thiadiazine-3-thione is sourced from PubChem (CID 10751888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).