(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

C10H10N2OS — CID 853799

IUPAC(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@@H]1NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)/t7-/m0/s1
InChIKeyXGPFPXALZVOKRI-ZETCQYMHSA-N
MW206.27 g/mol
LogP1.30
Rot. Bonds1

About (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 853799) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID853799
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@@H]1NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)/t7-/m0/s1
InChIKeyXGPFPXALZVOKRI-ZETCQYMHSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.30
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 (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 853799) is (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is C[C@@H]1NC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XGPFPXALZVOKRI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)/t7-/m0/s1.
What are the key properties of (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 853799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).