bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene

C67H87NO5S6 — CID 157497014

About bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene

bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene (PubChem CID 157497014) has the molecular formula C67H87NO5S6 and a molecular weight of 1178.84 g/mol. Its IUPAC name is bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene.

Molecular Properties

• Compound Name: bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene
• PubChem CID: 157497014
• Molecular Formula: C67H87NO5S6
• Molecular Weight: 1178.84 g/mol
• Exact Mass: 1177.49
• IUPAC Name: bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene
• SMILES: Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1ccsc1C.Cc1coc(C)c1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1.Cn1cccc1
• InChI: InChI=1S/3C6H8O.4C6H8S.C5H7N.2C5H6O.2C5H6S/c2*1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-5-3-6(2)7-4-5;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h7*3-4H,1-2H3;2-5H,1H3;4*2-4H,1H3
• InChIKey: BXYLWPFENHUTIZ-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 70.63 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1178.84
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene?

The IUPAC name of bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene (CID 157497014) is bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene.

What is the SMILES notation for bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene?

The canonical SMILES for bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene is Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1ccsc1C.Cc1coc(C)c1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)c1.Cn1cccc1.

What is the InChIKey of bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene?

The InChIKey is BXYLWPFENHUTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H8O.4C6H8S.C5H7N.2C5H6O.2C5H6S/c2*1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-5-3-6(2)7-4-5;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h7*3-4H,1-2H3;2-5H,1H3;4*2-4H,1H3.

What are the key properties of bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene?

bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene has a molecular weight of 1178.84 g/mol, XLogP of 23.46, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;1-methylpyrrole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 157497014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).