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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Related Compounds

1,3,4,5-Tetramethyl-2-((2-oxopropyl)thio)imidazolium
CID 131718
2-(4,4-Difluorobut-3-enylsulfanyl)-1,4,5-trimethylimidazole
CID 21850321
2-(4,4-Difluorobut-3-enylsulfanyl)-1-ethyl-4,5-dimethylimidazole
CID 21850340
[4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-1-ium-2-yl] thiocyanate
CID 122228484
[4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-1-ium-2-yl] thiocyanate bromide
CID 139124263
1-Butyl-2-(2,2-difluoroethylsulfanyl)-4,5-dimethylimidazole
CID 98749281
4,5-Dimethyl-1,3-di(propan-2-yl)-2-(trifluoromethylsulfanyl)imidazol-1-ium
CID 139202071
1-(1,3,4,5-Tetramethylimidazol-1-ium-2-yl)sulfanylpropan-2-one chloride
CID 11776807
1,4,5-Trimethyl-2-(methylthio)-1H-imidazole
CID 12503289
1,3,4,5-Tetramethyl-2-methylsulfanylimidazol-1-ium
CID 12503309
1,4,5-Trimethyl-2[(2-oxopropyl)thio]imidazole
CID 15718726
1-Ethenyl-3-ethyl-2,4,5-trimethylimidazol-3-ium
CID 17869558

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).