1-(2,6-diethylphenyl)imidazolidine-2-thione

C13H18N2S — CID 86204580

IUPAC1-(2,6-diethylphenyl)imidazolidine-2-thione
SMILESCCc1cccc(CC)c1N1CCNC1=S
InChIInChI=1S/C13H18N2S/c1-3-10-6-5-7-11(4-2)12(10)15-9-8-14-13(15)16/h5-7H,3-4,8-9H2,1-2H3,(H,14,16)
InChIKeyUDBCRIFVPCBEKV-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.51
Rot. Bonds3

About 1-(2,6-diethylphenyl)imidazolidine-2-thione

1-(2,6-diethylphenyl)imidazolidine-2-thione (PubChem CID 86204580) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)imidazolidine-2-thione
PubChem CID86204580
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name1-(2,6-diethylphenyl)imidazolidine-2-thione
SMILESCCc1cccc(CC)c1N1CCNC1=S
InChIInChI=1S/C13H18N2S/c1-3-10-6-5-7-11(4-2)12(10)15-9-8-14-13(15)16/h5-7H,3-4,8-9H2,1-2H3,(H,14,16)
InChIKeyUDBCRIFVPCBEKV-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.51
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-(2,6-diethylphenyl)imidazolidine-2-thione?
The IUPAC name of 1-(2,6-diethylphenyl)imidazolidine-2-thione (CID 86204580) is 1-(2,6-diethylphenyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(2,6-diethylphenyl)imidazolidine-2-thione?
The canonical SMILES for 1-(2,6-diethylphenyl)imidazolidine-2-thione is CCc1cccc(CC)c1N1CCNC1=S.
What is the InChIKey of 1-(2,6-diethylphenyl)imidazolidine-2-thione?
The InChIKey is UDBCRIFVPCBEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-10-6-5-7-11(4-2)12(10)15-9-8-14-13(15)16/h5-7H,3-4,8-9H2,1-2H3,(H,14,16).
What are the key properties of 1-(2,6-diethylphenyl)imidazolidine-2-thione?
1-(2,6-diethylphenyl)imidazolidine-2-thione has a molecular weight of 234.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)imidazolidine-2-thione is sourced from PubChem (CID 86204580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).