3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

C11H12N2O2S — CID 121224655

IUPAC3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCC1(C)NC(=S)N(c2ccccc2O)C1=O
InChIInChI=1S/C11H12N2O2S/c1-11(2)9(15)13(10(16)12-11)7-5-3-4-6-8(7)14/h3-6,14H,1-2H3,(H,12,16)
InChIKeyXJZSJQMAIMVXTF-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.39
Rot. Bonds1

About 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 121224655) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID121224655
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCC1(C)NC(=S)N(c2ccccc2O)C1=O
InChIInChI=1S/C11H12N2O2S/c1-11(2)9(15)13(10(16)12-11)7-5-3-4-6-8(7)14/h3-6,14H,1-2H3,(H,12,16)
InChIKeyXJZSJQMAIMVXTF-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
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 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 121224655) is 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is CC1(C)NC(=S)N(c2ccccc2O)C1=O.
What is the InChIKey of 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XJZSJQMAIMVXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(2)9(15)13(10(16)12-11)7-5-3-4-6-8(7)14/h3-6,14H,1-2H3,(H,12,16).
What are the key properties of 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 121224655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).