5-methyl-1-sulfanylimidazolidine-2,4-dione

C4H6N2O2S — CID 141156272

IUPAC5-methyl-1-sulfanylimidazolidine-2,4-dione
SMILESCC1C(=O)NC(=O)N1S
InChIInChI=1S/C4H6N2O2S/c1-2-3(7)5-4(8)6(2)9/h2,9H,1H3,(H,5,7,8)
InChIKeyNHZVHYFEXWESDN-UHFFFAOYSA-N
MW146.17 g/mol
LogP-0.23
Rot. Bonds

About 5-methyl-1-sulfanylimidazolidine-2,4-dione

5-methyl-1-sulfanylimidazolidine-2,4-dione (PubChem CID 141156272) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 5-methyl-1-sulfanylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-sulfanylimidazolidine-2,4-dione
PubChem CID141156272
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name5-methyl-1-sulfanylimidazolidine-2,4-dione
SMILESCC1C(=O)NC(=O)N1S
InChIInChI=1S/C4H6N2O2S/c1-2-3(7)5-4(8)6(2)9/h2,9H,1H3,(H,5,7,8)
InChIKeyNHZVHYFEXWESDN-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-sulfanylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-1-sulfanylimidazolidine-2,4-dione (CID 141156272) is 5-methyl-1-sulfanylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-sulfanylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-1-sulfanylimidazolidine-2,4-dione is CC1C(=O)NC(=O)N1S.
What is the InChIKey of 5-methyl-1-sulfanylimidazolidine-2,4-dione?
The InChIKey is NHZVHYFEXWESDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c1-2-3(7)5-4(8)6(2)9/h2,9H,1H3,(H,5,7,8).
What are the key properties of 5-methyl-1-sulfanylimidazolidine-2,4-dione?
5-methyl-1-sulfanylimidazolidine-2,4-dione has a molecular weight of 146.17 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-sulfanylimidazolidine-2,4-dione is sourced from PubChem (CID 141156272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).