3-benzyl-2-sulfanylideneimidazolidin-4-one

C10H10N2OS — CID 843081

IUPAC3-benzyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1Cc1ccccc1
InChIInChI=1S/C10H10N2OS/c13-9-6-11-10(14)12(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)
InChIKeyGDIIUSNPCPWLIF-UHFFFAOYSA-N
MW206.27 g/mol
LogP0.90
Rot. Bonds2

About 3-benzyl-2-sulfanylideneimidazolidin-4-one

3-benzyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 843081) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-benzyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-sulfanylideneimidazolidin-4-one
PubChem CID843081
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-benzyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1Cc1ccccc1
InChIInChI=1S/C10H10N2OS/c13-9-6-11-10(14)12(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)
InChIKeyGDIIUSNPCPWLIF-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 3-benzyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-benzyl-2-sulfanylideneimidazolidin-4-one (CID 843081) is 3-benzyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-benzyl-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GDIIUSNPCPWLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-9-6-11-10(14)12(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14).
What are the key properties of 3-benzyl-2-sulfanylideneimidazolidin-4-one?
3-benzyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 206.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 843081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).