5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione

C6H8N2O3S — CID 21041310

IUPAC5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione
SMILESCS(C)=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N2O3S/c1-12(2)3-4(9)7-6(11)8-5(3)10/h1-2H3,(H2,7,8,9,10,11)
InChIKeyGAAHWBHOIVROHU-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.95
Rot. Bonds

About 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione

5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 21041310) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione
PubChem CID21041310
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione
SMILESCS(C)=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N2O3S/c1-12(2)3-4(9)7-6(11)8-5(3)10/h1-2H3,(H2,7,8,9,10,11)
InChIKeyGAAHWBHOIVROHU-UHFFFAOYSA-N
XLogP-0.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione (CID 21041310) is 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione is CS(C)=C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is GAAHWBHOIVROHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-12(2)3-4(9)7-6(11)8-5(3)10/h1-2H3,(H2,7,8,9,10,11).
What are the key properties of 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione?
5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 188.21 g/mol, XLogP of -0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethyl-λ4-sulfanylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 21041310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).