2-(2-chloroethylsulfanyl)-1-ethylimidazole

C7H11ClN2S — CID 62136783

IUPAC2-(2-chloroethylsulfanyl)-1-ethylimidazole
SMILESCCn1ccnc1SCCCl
InChIInChI=1S/C7H11ClN2S/c1-2-10-5-4-9-7(10)11-6-3-8/h4-5H,2-3,6H2,1H3
InChIKeyNKRYDRMCALRIFF-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-chloroethylsulfanyl)-1-ethylimidazole

2-(2-chloroethylsulfanyl)-1-ethylimidazole (PubChem CID 62136783) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is 2-(2-chloroethylsulfanyl)-1-ethylimidazole.

Molecular Properties

Compound Name2-(2-chloroethylsulfanyl)-1-ethylimidazole
PubChem CID62136783
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC Name2-(2-chloroethylsulfanyl)-1-ethylimidazole
SMILESCCn1ccnc1SCCCl
InChIInChI=1S/C7H11ClN2S/c1-2-10-5-4-9-7(10)11-6-3-8/h4-5H,2-3,6H2,1H3
InChIKeyNKRYDRMCALRIFF-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
CID 54471729
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
CID 97327974
1-ethyl-2-propan-2-ylsulfanylimidazole
CID 117189957
3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 38662711
3-[3-(1-ethylimidazol-2-yl)sulfanylpropyl]-1,3-oxazolidin-2-one
CID 71937221
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine
CID 94686227
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide
CID 42254906
2-(1-ethylimidazol-2-yl)sulfanylpyridine
CID 130455766
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47147764
5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 46574980

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfanyl)-1-ethylimidazole?
The IUPAC name of 2-(2-chloroethylsulfanyl)-1-ethylimidazole (CID 62136783) is 2-(2-chloroethylsulfanyl)-1-ethylimidazole.
What is the SMILES notation for 2-(2-chloroethylsulfanyl)-1-ethylimidazole?
The canonical SMILES for 2-(2-chloroethylsulfanyl)-1-ethylimidazole is CCn1ccnc1SCCCl.
What is the InChIKey of 2-(2-chloroethylsulfanyl)-1-ethylimidazole?
The InChIKey is NKRYDRMCALRIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S/c1-2-10-5-4-9-7(10)11-6-3-8/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(2-chloroethylsulfanyl)-1-ethylimidazole?
2-(2-chloroethylsulfanyl)-1-ethylimidazole has a molecular weight of 190.70 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfanyl)-1-ethylimidazole is sourced from PubChem (CID 62136783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).