ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole

C13H26N2S — CID 153331338

IUPACethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole
SMILESC=Cn1c(SCC)nc(C)c1C.CC.CC
InChIInChI=1S/C9H14N2S.2C2H6/c1-5-11-8(4)7(3)10-9(11)12-6-2;2*1-2/h5H,1,6H2,2-4H3;2*1-2H3
InChIKeyZFCCJKWPFSRIDH-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.76
Rot. Bonds3

About ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole

ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole (PubChem CID 153331338) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole.

Molecular Properties

Compound Nameethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole
PubChem CID153331338
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Nameethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole
SMILESC=Cn1c(SCC)nc(C)c1C.CC.CC
InChIInChI=1S/C9H14N2S.2C2H6/c1-5-11-8(4)7(3)10-9(11)12-6-2;2*1-2/h5H,1,6H2,2-4H3;2*1-2H3
InChIKeyZFCCJKWPFSRIDH-UHFFFAOYSA-N
XLogP4.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole?
The IUPAC name of ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole (CID 153331338) is ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole.
What is the SMILES notation for ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole?
The canonical SMILES for ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole is C=Cn1c(SCC)nc(C)c1C.CC.CC.
What is the InChIKey of ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole?
The InChIKey is ZFCCJKWPFSRIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.2C2H6/c1-5-11-8(4)7(3)10-9(11)12-6-2;2*1-2/h5H,1,6H2,2-4H3;2*1-2H3.
What are the key properties of ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole?
ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole has a molecular weight of 242.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-ethylsulfanyl-4,5-dimethylimidazole is sourced from PubChem (CID 153331338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).