3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione

C8H14N2OS — CID 81335762

IUPAC3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione
SMILESCCOCCn1c(C)c[nH]c1=S
InChIInChI=1S/C8H14N2OS/c1-3-11-5-4-10-7(2)6-9-8(10)12/h6H,3-5H2,1-2H3,(H,9,12)
InChIKeySNIHWUCDRRMXEW-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.89
Rot. Bonds4

About 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione

3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione (PubChem CID 81335762) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione
PubChem CID81335762
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione
SMILESCCOCCn1c(C)c[nH]c1=S
InChIInChI=1S/C8H14N2OS/c1-3-11-5-4-10-7(2)6-9-8(10)12/h6H,3-5H2,1-2H3,(H,9,12)
InChIKeySNIHWUCDRRMXEW-UHFFFAOYSA-N
XLogP1.89
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-1-(2-methoxyethyl)-1H-imidazole-2-thiol
CID 12519159
4-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 64863377
4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81335926
4-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81336042
5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81336096
3-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1H-imidazole-2-thione
CID 105905338
3-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1H-imidazole-2-thione
CID 105905342
3-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1H-imidazole-2-thione
CID 105905345
1-(2-methoxyethyl)-4,5-dimethyl-1H-imidazole-2-thiol
CID 16227795
1-(2-methoxyethyl)-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519162
3-(2-ethoxyethyl)-1H-imidazole-2-thione
CID 43591302
5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione
CID 137382716

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione (CID 81335762) is 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione is CCOCCn1c(C)c[nH]c1=S.
What is the InChIKey of 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione?
The InChIKey is SNIHWUCDRRMXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-11-5-4-10-7(2)6-9-8(10)12/h6H,3-5H2,1-2H3,(H,9,12).
What are the key properties of 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione?
3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione has a molecular weight of 186.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81335762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).