4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione

C11H12N2S — CID 25124599

IUPAC4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione
SMILESCCc1cccc(-c2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C11H12N2S/c1-2-8-4-3-5-9(6-8)10-7-12-11(14)13-10/h3-7H,2H2,1H3,(H2,12,13,14)
InChIKeyAEHGJPIITZFQDY-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.30
Rot. Bonds2

About 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione

4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione (PubChem CID 25124599) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione
PubChem CID25124599
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione
SMILESCCc1cccc(-c2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C11H12N2S/c1-2-8-4-3-5-9(6-8)10-7-12-11(14)13-10/h3-7H,2H2,1H3,(H2,12,13,14)
InChIKeyAEHGJPIITZFQDY-UHFFFAOYSA-N
XLogP3.30
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
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 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione (CID 25124599) is 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione is CCc1cccc(-c2c[nH]c(=S)[nH]2)c1.
What is the InChIKey of 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is AEHGJPIITZFQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-8-4-3-5-9(6-8)10-7-12-11(14)13-10/h3-7H,2H2,1H3,(H2,12,13,14).
What are the key properties of 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione?
4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 204.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 25124599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).