(5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one

C10H8Cl2N2OS — CID 26684095

IUPAC(5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@@H]1NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C10H8Cl2N2OS/c1-5-9(15)14(10(16)13-5)8-3-6(11)2-7(12)4-8/h2-5H,1H3,(H,13,16)/t5-/m0/s1
InChIKeyMFFZSLLWHBRMJN-YFKPBYRVSA-N
MW275.16 g/mol
LogP2.60
Rot. Bonds1

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

(5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 26684095) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is (5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID26684095
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name(5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@@H]1NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C10H8Cl2N2OS/c1-5-9(15)14(10(16)13-5)8-3-6(11)2-7(12)4-8/h2-5H,1H3,(H,13,16)/t5-/m0/s1
InChIKeyMFFZSLLWHBRMJN-YFKPBYRVSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.60
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)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one (CID 26684095) is (5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one is C[C@@H]1NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of (5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is MFFZSLLWHBRMJN-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c1-5-9(15)14(10(16)13-5)8-3-6(11)2-7(12)4-8/h2-5H,1H3,(H,13,16)/t5-/m0/s1.
What are the key properties of (5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
(5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 275.16 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 26684095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).