2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole

C6H12N2S — CID 14150580

IUPAC2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESCCSCC1=NCCN1
InChIInChI=1S/C6H12N2S/c1-2-9-5-6-7-3-4-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyCFHACMOXDIYTDP-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.74
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole

2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 14150580) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID14150580
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESCCSCC1=NCCN1
InChIInChI=1S/C6H12N2S/c1-2-9-5-6-7-3-4-8-6/h2-5H2,1H3,(H,7,8)
InChIKeyCFHACMOXDIYTDP-UHFFFAOYSA-N
XLogP0.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole (CID 14150580) is 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole is CCSCC1=NCCN1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is CFHACMOXDIYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-2-9-5-6-7-3-4-8-6/h2-5H2,1H3,(H,7,8).
What are the key properties of 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 144.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 14150580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).