(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

C10H10N2O2S — CID 56950309

IUPAC(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N[C@H]1Cc1ccc(O)cc1
InChIInChI=1S/C10H10N2O2S/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-4,8,13H,5H2,(H2,11,12,14,15)/t8-/m0/s1
InChIKeyHSOPXLJCZXTRCI-QMMMGPOBSA-N
MW222.27 g/mol
LogP0.31
Rot. Bonds2

About (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 56950309) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID56950309
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N[C@H]1Cc1ccc(O)cc1
InChIInChI=1S/C10H10N2O2S/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-4,8,13H,5H2,(H2,11,12,14,15)/t8-/m0/s1
InChIKeyHSOPXLJCZXTRCI-QMMMGPOBSA-N
XLogP0.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (CID 56950309) is (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N[C@H]1Cc1ccc(O)cc1.
What is the InChIKey of (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HSOPXLJCZXTRCI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-4,8,13H,5H2,(H2,11,12,14,15)/t8-/m0/s1.
What are the key properties of (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
(5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 222.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 56950309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).