Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene

C₆₆H₁₁₇N₇O₄S₄ — CID 158511894

About Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene

Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene (PubChem CID 158511894) has the molecular formula C₆₆H₁₁₇N₇O₄S₄ and a molecular weight of 1200.97 g/mol. Its IUPAC name is ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene.

Molecular Properties

• Compound Name: Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
• PubChem CID: 158511894
• Molecular Formula: C₆₆H₁₁₇N₇O₄S₄
• Molecular Weight: 1200.97 g/mol
• Exact Mass: 1199.80
• IUPAC Name: ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccns1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/C7H8.C5H7N.C5H6O.C5H6S.3C4H5NO.3C4H5NS.10C2H6/c1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;10*1-2/h2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;6*2-3H,1H3;10*1-2H3
• InChIKey: HLDVCGXEWBLINO-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 145.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1200.97
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?

The IUPAC name of Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene (CID 158511894) is ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene.

What is the SMILES notation for Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?

The canonical SMILES for Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccns1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?

The InChIKey is HLDVCGXEWBLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H7N.C5H6O.C5H6S.3C4H5NO.3C4H5NS.10C2H6/c1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;10*1-2/h2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;6*2-3H,1H3;10*1-2H3.

What are the key properties of Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?

Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene has a molecular weight of 1200.97 g/mol, XLogP of 24.53, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene is sourced from PubChem (CID 158511894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158511894 — identifiers, structure, computed properties (public domain)

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