methane;5-methyl-1H-imidazole;methylsulfanylethane

C8H18N2S — CID 161020222

IUPACmethane;5-methyl-1H-imidazole;methylsulfanylethane
SMILESC.CCSC.Cc1cnc[nH]1
InChIInChI=1S/C4H6N2.C3H8S.CH4/c1-4-2-5-3-6-4;1-3-4-2;/h2-3H,1H3,(H,5,6);3H2,1-2H3;1H4
InChIKeyTYGNXYXBAZEKPK-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.72
Rot. Bonds1

About methane;5-methyl-1H-imidazole;methylsulfanylethane

methane;5-methyl-1H-imidazole;methylsulfanylethane (PubChem CID 161020222) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is methane;5-methyl-1H-imidazole;methylsulfanylethane.

Molecular Properties

Compound Namemethane;5-methyl-1H-imidazole;methylsulfanylethane
PubChem CID161020222
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Namemethane;5-methyl-1H-imidazole;methylsulfanylethane
SMILESC.CCSC.Cc1cnc[nH]1
InChIInChI=1S/C4H6N2.C3H8S.CH4/c1-4-2-5-3-6-4;1-3-4-2;/h2-3H,1H3,(H,5,6);3H2,1-2H3;1H4
InChIKeyTYGNXYXBAZEKPK-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-1H-imidazole;methylsulfanylethane?
The IUPAC name of methane;5-methyl-1H-imidazole;methylsulfanylethane (CID 161020222) is methane;5-methyl-1H-imidazole;methylsulfanylethane.
What is the SMILES notation for methane;5-methyl-1H-imidazole;methylsulfanylethane?
The canonical SMILES for methane;5-methyl-1H-imidazole;methylsulfanylethane is C.CCSC.Cc1cnc[nH]1.
What is the InChIKey of methane;5-methyl-1H-imidazole;methylsulfanylethane?
The InChIKey is TYGNXYXBAZEKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C3H8S.CH4/c1-4-2-5-3-6-4;1-3-4-2;/h2-3H,1H3,(H,5,6);3H2,1-2H3;1H4.
What are the key properties of methane;5-methyl-1H-imidazole;methylsulfanylethane?
methane;5-methyl-1H-imidazole;methylsulfanylethane has a molecular weight of 174.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-1H-imidazole;methylsulfanylethane is sourced from PubChem (CID 161020222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).