1-ethyl-5-phenylimidazolidine-2-thione

C11H14N2S — CID 3075565

IUPAC1-ethyl-5-phenylimidazolidine-2-thione
SMILESCCN1C(=S)NCC1c1ccccc1
InChIInChI=1S/C11H14N2S/c1-2-13-10(8-12-11(13)14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,14)
InChIKeyQYRDJEMXRZWICF-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.94
Rot. Bonds2

About 1-ethyl-5-phenylimidazolidine-2-thione

1-ethyl-5-phenylimidazolidine-2-thione (PubChem CID 3075565) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-ethyl-5-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name1-ethyl-5-phenylimidazolidine-2-thione
PubChem CID3075565
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-ethyl-5-phenylimidazolidine-2-thione
SMILESCCN1C(=S)NCC1c1ccccc1
InChIInChI=1S/C11H14N2S/c1-2-13-10(8-12-11(13)14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,14)
InChIKeyQYRDJEMXRZWICF-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-ethyl-5-phenylimidazolidine-2-thione?
The IUPAC name of 1-ethyl-5-phenylimidazolidine-2-thione (CID 3075565) is 1-ethyl-5-phenylimidazolidine-2-thione.
What is the SMILES notation for 1-ethyl-5-phenylimidazolidine-2-thione?
The canonical SMILES for 1-ethyl-5-phenylimidazolidine-2-thione is CCN1C(=S)NCC1c1ccccc1.
What is the InChIKey of 1-ethyl-5-phenylimidazolidine-2-thione?
The InChIKey is QYRDJEMXRZWICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-13-10(8-12-11(13)14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,14).
What are the key properties of 1-ethyl-5-phenylimidazolidine-2-thione?
1-ethyl-5-phenylimidazolidine-2-thione has a molecular weight of 206.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-phenylimidazolidine-2-thione is sourced from PubChem (CID 3075565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).