1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

C5H8N2OS — CID 3722203

IUPAC1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1CC(=O)N(C)C1=S
InChIInChI=1S/C5H8N2OS/c1-6-3-4(8)7(2)5(6)9/h3H2,1-2H3
InChIKeyGKWNLFPHQCFFQJ-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.32
Rot. Bonds

About 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3722203) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3722203
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1CC(=O)N(C)C1=S
InChIInChI=1S/C5H8N2OS/c1-6-3-4(8)7(2)5(6)9/h3H2,1-2H3
InChIKeyGKWNLFPHQCFFQJ-UHFFFAOYSA-N
XLogP-0.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 3722203) is 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is CN1CC(=O)N(C)C1=S.
What is the InChIKey of 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GKWNLFPHQCFFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-6-3-4(8)7(2)5(6)9/h3H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
1,3-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 144.20 g/mol, XLogP of -0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3722203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).