1-methyl-5-sulfanylideneimidazolidin-2-one

C4H6N2OS — CID 23279301

IUPAC1-methyl-5-sulfanylideneimidazolidin-2-one
SMILESCN1C(=O)NCC1=S
InChIInChI=1S/C4H6N2OS/c1-6-3(8)2-5-4(6)7/h2H2,1H3,(H,5,7)
InChIKeyZAJVRZQGHVGNER-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.03
Rot. Bonds

About 1-methyl-5-sulfanylideneimidazolidin-2-one

1-methyl-5-sulfanylideneimidazolidin-2-one (PubChem CID 23279301) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 1-methyl-5-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-sulfanylideneimidazolidin-2-one
PubChem CID23279301
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name1-methyl-5-sulfanylideneimidazolidin-2-one
SMILESCN1C(=O)NCC1=S
InChIInChI=1S/C4H6N2OS/c1-6-3(8)2-5-4(6)7/h2H2,1H3,(H,5,7)
InChIKeyZAJVRZQGHVGNER-UHFFFAOYSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-5-sulfanylideneimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-sulfanylideneimidazolidin-2-one?
The IUPAC name of 1-methyl-5-sulfanylideneimidazolidin-2-one (CID 23279301) is 1-methyl-5-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 1-methyl-5-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 1-methyl-5-sulfanylideneimidazolidin-2-one is CN1C(=O)NCC1=S.
What is the InChIKey of 1-methyl-5-sulfanylideneimidazolidin-2-one?
The InChIKey is ZAJVRZQGHVGNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-6-3(8)2-5-4(6)7/h2H2,1H3,(H,5,7).
What are the key properties of 1-methyl-5-sulfanylideneimidazolidin-2-one?
1-methyl-5-sulfanylideneimidazolidin-2-one has a molecular weight of 130.17 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 23279301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).