5-(ethylsulfanylmethyl)-1H-imidazole

C6H10N2S — CID 14197654

IUPAC5-(ethylsulfanylmethyl)-1H-imidazole
SMILESCCSCc1cnc[nH]1
InChIInChI=1S/C6H10N2S/c1-2-9-4-6-3-7-5-8-6/h3,5H,2,4H2,1H3,(H,7,8)
InChIKeyWULVZVZQDPQHIO-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.66
Rot. Bonds3

About 5-(ethylsulfanylmethyl)-1H-imidazole

5-(ethylsulfanylmethyl)-1H-imidazole (PubChem CID 14197654) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 5-(ethylsulfanylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(ethylsulfanylmethyl)-1H-imidazole
PubChem CID14197654
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name5-(ethylsulfanylmethyl)-1H-imidazole
SMILESCCSCc1cnc[nH]1
InChIInChI=1S/C6H10N2S/c1-2-9-4-6-3-7-5-8-6/h3,5H,2,4H2,1H3,(H,7,8)
InChIKeyWULVZVZQDPQHIO-UHFFFAOYSA-N
XLogP1.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfanylmethyl)-1H-imidazole?
The IUPAC name of 5-(ethylsulfanylmethyl)-1H-imidazole (CID 14197654) is 5-(ethylsulfanylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(ethylsulfanylmethyl)-1H-imidazole?
The canonical SMILES for 5-(ethylsulfanylmethyl)-1H-imidazole is CCSCc1cnc[nH]1.
What is the InChIKey of 5-(ethylsulfanylmethyl)-1H-imidazole?
The InChIKey is WULVZVZQDPQHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-2-9-4-6-3-7-5-8-6/h3,5H,2,4H2,1H3,(H,7,8).
What are the key properties of 5-(ethylsulfanylmethyl)-1H-imidazole?
5-(ethylsulfanylmethyl)-1H-imidazole has a molecular weight of 142.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfanylmethyl)-1H-imidazole is sourced from PubChem (CID 14197654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).