3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one

C10H9ClN2O2S — CID 43995729

IUPAC3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(Cl)cc1N1C(=O)CNC1=S
InChIInChI=1S/C10H9ClN2O2S/c1-15-8-3-2-6(11)4-7(8)13-9(14)5-12-10(13)16/h2-4H,5H2,1H3,(H,12,16)
InChIKeySKOIHFISOWGXQV-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.57
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one

3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 43995729) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID43995729
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(Cl)cc1N1C(=O)CNC1=S
InChIInChI=1S/C10H9ClN2O2S/c1-15-8-3-2-6(11)4-7(8)13-9(14)5-12-10(13)16/h2-4H,5H2,1H3,(H,12,16)
InChIKeySKOIHFISOWGXQV-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 20866768
3-(5-chloro-2-methoxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
CID 4688779
1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 3152007
(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 1078959
1-(5-chloro-2-methoxyphenyl)-1,4-diazocan-2-one
CID 117016190
(1S,2S,6R,7S)-4-(5-chloro-2-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23309455
2-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-one
CID 140764065
(1S,2S,6R,7R)-4-(5-chloro-2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 1309360
(1S,2R,6S,7S)-4-(5-chloro-2-methoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98093300
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
(3aS,6aR)-3-(5-chloro-2-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione
CID 8022685
8-chloro-6-(2-methoxyphenyl)-2,4-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-1,5-dione
CID 57196289

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one (CID 43995729) is 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one is COc1ccc(Cl)cc1N1C(=O)CNC1=S.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SKOIHFISOWGXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-15-8-3-2-6(11)4-7(8)13-9(14)5-12-10(13)16/h2-4H,5H2,1H3,(H,12,16).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one?
3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 256.71 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 43995729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).