3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione

C10H18N2OS — CID 81334842

IUPAC3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione
SMILESCCOCC(C)n1c(CC)c[nH]c1=S
InChIInChI=1S/C10H18N2OS/c1-4-9-6-11-10(14)12(9)8(3)7-13-5-2/h6,8H,4-5,7H2,1-3H3,(H,11,14)
InChIKeyBIGQSGMNUAFVNZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.71
Rot. Bonds5

About 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione

3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione (PubChem CID 81334842) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione
PubChem CID81334842
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione
SMILESCCOCC(C)n1c(CC)c[nH]c1=S
InChIInChI=1S/C10H18N2OS/c1-4-9-6-11-10(14)12(9)8(3)7-13-5-2/h6,8H,4-5,7H2,1-3H3,(H,11,14)
InChIKeyBIGQSGMNUAFVNZ-UHFFFAOYSA-N
XLogP2.71
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.71
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

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-tert-butyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81335925
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
3-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1H-imidazole-2-thione
CID 105905338
3-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 105905340
3-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1H-imidazole-2-thione
CID 105905345
4-tert-butyl-3-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 114126849
1-(2-methoxyethyl)-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519162
5-tert-butyl-1-(3-methoxypropyl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519169
4-(1-Morpholin-4-ylethyl)-1,3-dihydroimidazole-2-thione
CID 67742968

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione (CID 81334842) is 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione is CCOCC(C)n1c(CC)c[nH]c1=S.
What is the InChIKey of 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione?
The InChIKey is BIGQSGMNUAFVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-9-6-11-10(14)12(9)8(3)7-13-5-2/h6,8H,4-5,7H2,1-3H3,(H,11,14).
What are the key properties of 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione?
3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione has a molecular weight of 214.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yl)-4-ethyl-1H-imidazole-2-thione is sourced from PubChem (CID 81334842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).