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

C4H4N2O2S — CID 15685570

IUPAC6-sulfanylidene-1,3-diazinane-2,4-dione
SMILESO=C1CC(=S)NC(=O)N1
InChIInChI=1S/C4H4N2O2S/c7-2-1-3(9)6-4(8)5-2/h1H2,(H2,5,6,7,8,9)
InChIKeyCWQRZHJVEYUBDY-UHFFFAOYSA-N
MW144.16 g/mol
LogP-0.46
Rot. Bonds

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

6-sulfanylidene-1,3-diazinane-2,4-dione (PubChem CID 15685570) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is 6-sulfanylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-sulfanylidene-1,3-diazinane-2,4-dione
PubChem CID15685570
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name6-sulfanylidene-1,3-diazinane-2,4-dione
SMILESO=C1CC(=S)NC(=O)N1
InChIInChI=1S/C4H4N2O2S/c7-2-1-3(9)6-4(8)5-2/h1H2,(H2,5,6,7,8,9)
InChIKeyCWQRZHJVEYUBDY-UHFFFAOYSA-N
XLogP-0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiobarbituric acid
CID 2723628
4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-, sodium salt (1:1)
CID 23688947
2,6-Bis(sulfanylidene)tetrahydropyrimidin-4(1H)-one
CID 4260880
5-Methyl-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
CID 12758420
5-Mercaptobarbituric
CID 19789988
6-Sulfonyl uracil
CID 23120775
2-Thio-barbituric acid monohydrate
CID 129727612
Thiobarbituric acid-hydrochloric acid
CID 156579793
Sodium 2-Thiobarbiturate
CID 56924476
Deutero-2-thiobarbituric acid
CID 129783190
2-Sulfanylidene-1,3-diazinane-4,6-dione;trihydrate
CID 134686839
Sodium 2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21151290

Frequently Asked Questions

What is the IUPAC name of 6-sulfanylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 6-sulfanylidene-1,3-diazinane-2,4-dione (CID 15685570) is 6-sulfanylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-sulfanylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-sulfanylidene-1,3-diazinane-2,4-dione is O=C1CC(=S)NC(=O)N1.
What is the InChIKey of 6-sulfanylidene-1,3-diazinane-2,4-dione?
The InChIKey is CWQRZHJVEYUBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c7-2-1-3(9)6-4(8)5-2/h1H2,(H2,5,6,7,8,9).
What are the key properties of 6-sulfanylidene-1,3-diazinane-2,4-dione?
6-sulfanylidene-1,3-diazinane-2,4-dione has a molecular weight of 144.16 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 15685570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).