(2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone

C10H9ClN2OS — CID 164575548

IUPAC(2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCNC1=S
InChIInChI=1S/C10H9ClN2OS/c11-8-4-2-1-3-7(8)9(14)13-6-5-12-10(13)15/h1-4H,5-6H2,(H,12,15)
InChIKeyRIJOAIVDAKDUGA-UHFFFAOYSA-N
MW240.72 g/mol
LogP1.67
Rot. Bonds1

About (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone

(2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone (PubChem CID 164575548) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone
PubChem CID164575548
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name(2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CCNC1=S
InChIInChI=1S/C10H9ClN2OS/c11-8-4-2-1-3-7(8)9(14)13-6-5-12-10(13)15/h1-4H,5-6H2,(H,12,15)
InChIKeyRIJOAIVDAKDUGA-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-sulfanylideneimidazolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone (CID 164575548) is (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone is O=C(c1ccccc1Cl)N1CCNC1=S.
What is the InChIKey of (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone?
The InChIKey is RIJOAIVDAKDUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-8-4-2-1-3-7(8)9(14)13-6-5-12-10(13)15/h1-4H,5-6H2,(H,12,15).
What are the key properties of (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone?
(2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone has a molecular weight of 240.72 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone is sourced from PubChem (CID 164575548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).