2-ethylsulfanyl-1-propan-2-ylimidazole

C8H14N2S — CID 117189974

IUPAC2-ethylsulfanyl-1-propan-2-ylimidazole
SMILESCCSc1nccn1C(C)C
InChIInChI=1S/C8H14N2S/c1-4-11-8-9-5-6-10(8)7(2)3/h5-7H,4H2,1-3H3
InChIKeyZGWDITWIYZFZOH-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.58
Rot. Bonds3

About 2-ethylsulfanyl-1-propan-2-ylimidazole

2-ethylsulfanyl-1-propan-2-ylimidazole (PubChem CID 117189974) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-propan-2-ylimidazole
PubChem CID117189974
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-ethylsulfanyl-1-propan-2-ylimidazole
SMILESCCSc1nccn1C(C)C
InChIInChI=1S/C8H14N2S/c1-4-11-8-9-5-6-10(8)7(2)3/h5-7H,4H2,1-3H3
InChIKeyZGWDITWIYZFZOH-UHFFFAOYSA-N
XLogP2.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine
CID 82125386
2-(1-butan-2-ylimidazol-2-yl)sulfanylacetic acid
CID 43148507
2-[1-(1-ethoxy-1-oxopropan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 54960692
2-[1-(1-pyrazol-1-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 54951396
2-[1-(1-phenylethyl)imidazol-2-yl]sulfanylethanamine
CID 19861385
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
5-bromo-2-ethylsulfanyl-1-propan-2-ylimidazole
CID 117190849
2-ethylsulfanyl-1-propan-2-ylimidazole-4-carboxylic acid
CID 117190000
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
1-ethyl-2-propan-2-ylsulfanylimidazole
CID 117189957
1-propan-2-yl-2-pyrazol-1-ylimidazole
CID 58415669
4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline
CID 168878323

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-propan-2-ylimidazole?
The IUPAC name of 2-ethylsulfanyl-1-propan-2-ylimidazole (CID 117189974) is 2-ethylsulfanyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-propan-2-ylimidazole is CCSc1nccn1C(C)C.
What is the InChIKey of 2-ethylsulfanyl-1-propan-2-ylimidazole?
The InChIKey is ZGWDITWIYZFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-11-8-9-5-6-10(8)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-1-propan-2-ylimidazole?
2-ethylsulfanyl-1-propan-2-ylimidazole has a molecular weight of 170.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117189974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).