3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione

C9H16N2O2S — CID 81335852

IUPAC3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione
SMILESCOCCOCCn1cc(C)[nH]c1=S
InChIInChI=1S/C9H16N2O2S/c1-8-7-11(9(14)10-8)3-4-13-6-5-12-2/h7H,3-6H2,1-2H3,(H,10,14)
InChIKeyUGCXMMOVEMSMLM-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.52
Rot. Bonds6

About 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione

3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione (PubChem CID 81335852) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione
PubChem CID81335852
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione
SMILESCOCCOCCn1cc(C)[nH]c1=S
InChIInChI=1S/C9H16N2O2S/c1-8-7-11(9(14)10-8)3-4-13-6-5-12-2/h7H,3-6H2,1-2H3,(H,10,14)
InChIKeyUGCXMMOVEMSMLM-UHFFFAOYSA-N
XLogP1.52
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione (CID 81335852) is 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione is COCCOCCn1cc(C)[nH]c1=S.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione?
The InChIKey is UGCXMMOVEMSMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-8-7-11(9(14)10-8)3-4-13-6-5-12-2/h7H,3-6H2,1-2H3,(H,10,14).
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione?
3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione has a molecular weight of 216.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81335852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).