5-ethyl-2-propylsulfanyl-1H-imidazole

C8H14N2S — CID 54013047

IUPAC5-ethyl-2-propylsulfanyl-1H-imidazole
SMILESCCCSc1ncc(CC)[nH]1
InChIInChI=1S/C8H14N2S/c1-3-5-11-8-9-6-7(4-2)10-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyKTSJBNUMKRDYCI-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.47
Rot. Bonds4

About 5-ethyl-2-propylsulfanyl-1H-imidazole

5-ethyl-2-propylsulfanyl-1H-imidazole (PubChem CID 54013047) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-ethyl-2-propylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-2-propylsulfanyl-1H-imidazole
PubChem CID54013047
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name5-ethyl-2-propylsulfanyl-1H-imidazole
SMILESCCCSc1ncc(CC)[nH]1
InChIInChI=1S/C8H14N2S/c1-3-5-11-8-9-6-7(4-2)10-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyKTSJBNUMKRDYCI-UHFFFAOYSA-N
XLogP2.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propylsulfanyl-1H-imidazole?
The IUPAC name of 5-ethyl-2-propylsulfanyl-1H-imidazole (CID 54013047) is 5-ethyl-2-propylsulfanyl-1H-imidazole.
What is the SMILES notation for 5-ethyl-2-propylsulfanyl-1H-imidazole?
The canonical SMILES for 5-ethyl-2-propylsulfanyl-1H-imidazole is CCCSc1ncc(CC)[nH]1.
What is the InChIKey of 5-ethyl-2-propylsulfanyl-1H-imidazole?
The InChIKey is KTSJBNUMKRDYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-5-11-8-9-6-7(4-2)10-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 5-ethyl-2-propylsulfanyl-1H-imidazole?
5-ethyl-2-propylsulfanyl-1H-imidazole has a molecular weight of 170.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propylsulfanyl-1H-imidazole is sourced from PubChem (CID 54013047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).