1-ethylsulfanyl-4,5-dihydroimidazole

C5H10N2S — CID 57119806

IUPAC1-ethylsulfanyl-4,5-dihydroimidazole
SMILESCCSN1C=NCC1
InChIInChI=1S/C5H10N2S/c1-2-8-7-4-3-6-5-7/h5H,2-4H2,1H3
InChIKeyAJKUQUFIRZDQBC-UHFFFAOYSA-N
MW130.22 g/mol
LogP1.00
Rot. Bonds2

About 1-ethylsulfanyl-4,5-dihydroimidazole

1-ethylsulfanyl-4,5-dihydroimidazole (PubChem CID 57119806) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-ethylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethylsulfanyl-4,5-dihydroimidazole
PubChem CID57119806
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-ethylsulfanyl-4,5-dihydroimidazole
SMILESCCSN1C=NCC1
InChIInChI=1S/C5H10N2S/c1-2-8-7-4-3-6-5-7/h5H,2-4H2,1H3
InChIKeyAJKUQUFIRZDQBC-UHFFFAOYSA-N
XLogP1.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-ethylsulfanyl-4,5-dihydroimidazole (CID 57119806) is 1-ethylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-ethylsulfanyl-4,5-dihydroimidazole is CCSN1C=NCC1.
What is the InChIKey of 1-ethylsulfanyl-4,5-dihydroimidazole?
The InChIKey is AJKUQUFIRZDQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-2-8-7-4-3-6-5-7/h5H,2-4H2,1H3.
What are the key properties of 1-ethylsulfanyl-4,5-dihydroimidazole?
1-ethylsulfanyl-4,5-dihydroimidazole has a molecular weight of 130.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 57119806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).