benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine

C114H144N4O4S6 — CID 159257634

IUPACbenzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine
SMILESCC.CC.CC.CC.CC.CC.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cc2sc(C)cc2o1.Cc1cc2sc(C)cc2s1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2ccccc2c1.Cc1ccccn1.Cc1cnc(C)cn1.c1ccccc1
InChIInChI=1S/C11H10.C10H10O.C10H10S.C9H8O.C9H8S.C8H8OS.C8H8S2.C7H9N.C6H8N2.C6H7N.C6H8O.C6H8S.C6H6.6C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-3-8-7(9-5)4-6(2)10-8;1-5-3-7-8(9-5)4-6(2)10-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;6*1-2/h2-8H,1H3;2*3-6H,1-2H3;2*2-6H,1H3;2*3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;1-6H;6*1-2H3
InChIKeyKWCGKFMVESCLFA-UHFFFAOYSA-N
MW1826.83 g/mol
LogP38.64
Rot. Bonds

About benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine

benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine (PubChem CID 159257634) has the molecular formula C114H144N4O4S6 and a molecular weight of 1826.83 g/mol. Its IUPAC name is benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine.

Molecular Properties

Compound Namebenzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine
PubChem CID159257634
Molecular FormulaC114H144N4O4S6
Molecular Weight1826.83 g/mol
Exact Mass1824.95
IUPAC Namebenzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine
SMILESCC.CC.CC.CC.CC.CC.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cc2sc(C)cc2o1.Cc1cc2sc(C)cc2s1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2ccccc2c1.Cc1ccccn1.Cc1cnc(C)cn1.c1ccccc1
InChIInChI=1S/C11H10.C10H10O.C10H10S.C9H8O.C9H8S.C8H8OS.C8H8S2.C7H9N.C6H8N2.C6H7N.C6H8O.C6H8S.C6H6.6C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-3-8-7(9-5)4-6(2)10-8;1-5-3-7-8(9-5)4-6(2)10-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;6*1-2/h2-8H,1H3;2*3-6H,1-2H3;2*2-6H,1H3;2*3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;1-6H;6*1-2H3
InChIKeyKWCGKFMVESCLFA-UHFFFAOYSA-N
XLogP38.64
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.83
LogP ≤ 538.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine with MolForge

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Related Compounds

2,6-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthieno[2,3-d][1,3]thiazole;2,5-dimethylthieno[3,2-d][1,3]thiazole;2,5-dimethylthiophene;3,6-dimethyl-1,2,4-triazine
CID 159580598
2,5-dimethylfuran;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylselenophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159385097
ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene
CID 156745259
sodium;bis(carbon dioxide);2,6-dimethyl-1-benzothiophene;2-methyl-1-benzothiophene;hydroxide
CID 158311681
chloromethane;2-ethylthiophene;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methyl-5-thiophen-2-ylthiophene
CID 158868577
2,5-dimethyl-1-benzofuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157379473
ethane;2,7,9-trimethylazecine
CID 145048152
ethane;2-methylpyridine;toluene
CID 143164268
2,5-dimethyl-1-benzofuran;2,6-dimethyl-1,3-benzothiazole;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;2,5-dimethylfuran;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3-oxazole;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;1,5-dimethyl-1,2,3,4-tetrahydronaphthalene;2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;1-methyl-4-(4-methylphenyl)benzene;5-methyl-2-(4-methylphenyl)pyridine;bis(1,4-xylene)
CID 157112068
1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 161038141
2,5-dimethylfuran;2,6-dimethylpyridine;ethane;methane;1,3-xylene
CID 159396426
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500

Frequently Asked Questions

What is the IUPAC name of benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine?
The IUPAC name of benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine (CID 159257634) is benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine.
What is the SMILES notation for benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine?
The canonical SMILES for benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine is CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cc2sc(C)cc2o1.Cc1cc2sc(C)cc2s1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2ccccc2c1.Cc1ccccn1.Cc1cnc(C)cn1.c1ccccc1.
What is the InChIKey of benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine?
The InChIKey is KWCGKFMVESCLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H10O.C10H10S.C9H8O.C9H8S.C8H8OS.C8H8S2.C7H9N.C6H8N2.C6H7N.C6H8O.C6H8S.C6H6.6C2H6/c1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-3-8-7(9-5)4-6(2)10-8;1-5-3-7-8(9-5)4-6(2)10-7;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;1-2-4-6-5-3-1;6*1-2/h2-8H,1H3;2*3-6H,1-2H3;2*2-6H,1H3;2*3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;1-6H;6*1-2H3.
What are the key properties of benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine?
benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine has a molecular weight of 1826.83 g/mol, XLogP of 38.64, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,5-dimethylfuran;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylthieno[3,2-b]furan;2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene;ethane;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;2-methylnaphthalene;2-methylpyridine is sourced from PubChem (CID 159257634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).