4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione

C11H18N2OS — CID 81334935

IUPAC4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1C(C)C1CCCO1
InChIInChI=1S/C11H18N2OS/c1-3-9-7-12-11(15)13(9)8(2)10-5-4-6-14-10/h7-8,10H,3-6H2,1-2H3,(H,12,15)
InChIKeyCRIXDNBBMREAPX-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.85
Rot. Bonds3

About 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione

4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione (PubChem CID 81334935) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
PubChem CID81334935
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1C(C)C1CCCO1
InChIInChI=1S/C11H18N2OS/c1-3-9-7-12-11(15)13(9)8(2)10-5-4-6-14-10/h7-8,10H,3-6H2,1-2H3,(H,12,15)
InChIKeyCRIXDNBBMREAPX-UHFFFAOYSA-N
XLogP2.85
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862976
3-(oxolan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863155
3-(oxan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863558
3-(2-methoxycyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863750
3-[2-(oxolan-2-yl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64864333
4-(hydroxymethyl)-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 66147398
3-[(2-methyloxolan-2-yl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 80195516
3-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 80720519
4-ethyl-3-(oxan-2-ylmethyl)-1H-imidazole-2-thione
CID 81334606
4-tert-butyl-3-[(2-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione
CID 81334762
4-methyl-3-[(2-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione
CID 81334763
4-tert-butyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81334815

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione (CID 81334935) is 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1C(C)C1CCCO1.
What is the InChIKey of 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The InChIKey is CRIXDNBBMREAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-9-7-12-11(15)13(9)8(2)10-5-4-6-14-10/h7-8,10H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione has a molecular weight of 226.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81334935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).