5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C10H8N2O2S — CID 805159

IUPAC5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESO=C1NC(=S)NC(=O)C1c1ccccc1
InChIInChI=1S/C10H8N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5,7H,(H2,11,12,13,14,15)
InChIKeyYSILWYBOVGFHOQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.30
Rot. Bonds1

About 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 805159) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID805159
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESO=C1NC(=S)NC(=O)C1c1ccccc1
InChIInChI=1S/C10H8N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5,7H,(H2,11,12,13,14,15)
InChIKeyYSILWYBOVGFHOQ-UHFFFAOYSA-N
XLogP0.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 805159) is 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is O=C1NC(=S)NC(=O)C1c1ccccc1.
What is the InChIKey of 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is YSILWYBOVGFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5,7H,(H2,11,12,13,14,15).
What are the key properties of 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 220.25 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 805159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).