2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene

C71H82N4O5S6 — CID 158749676

About 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene

2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene (PubChem CID 158749676) has the molecular formula C71H82N4O5S6 and a molecular weight of 1263.86 g/mol. Its IUPAC name is 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene.

Molecular Properties

• Compound Name: 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene
• PubChem CID: 158749676
• Molecular Formula: C71H82N4O5S6
• Molecular Weight: 1263.86 g/mol
• Exact Mass: 1262.46
• IUPAC Name: 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene
• SMILES: Cc1cc(-c2ccccc2)cs1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(C)s1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccsc1.Cc1cnoc1.Cc1cocn1.Cc1csc(C)c1.Cn1cccc1
• InChI: InChI=1S/2C11H10S.2C6H8S.C5H7N.2C5H6O.2C5H6S.3C4H5NO/c1-9-7-11(8-12-9)10-5-3-2-4-6-10;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-5-3-6(2)7-4-5;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;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4/h2*2-8H,1H3;2*3-4H,1-2H3;2-5H,1H3;4*2-4H,1H3;3*2-3H,1H3
• InChIKey: INHXFZCCAVWOGG-UHFFFAOYSA-N
• XLogP: 23.44
• TPSA: 109.30 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 2
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1263.86
LogP ≤ 5	23.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene?

The IUPAC name of 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene (CID 158749676) is 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene.

What is the SMILES notation for 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene?

The canonical SMILES for 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene is Cc1cc(-c2ccccc2)cs1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(C)s1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccsc1.Cc1cnoc1.Cc1cocn1.Cc1csc(C)c1.Cn1cccc1.

What is the InChIKey of 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene?

The InChIKey is INHXFZCCAVWOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10S.2C6H8S.C5H7N.2C5H6O.2C5H6S.3C4H5NO/c1-9-7-11(8-12-9)10-5-3-2-4-6-10;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-5-3-6(2)7-4-5;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;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4/h2*2-8H,1H3;2*3-4H,1-2H3;2-5H,1H3;4*2-4H,1H3;3*2-3H,1H3.

What are the key properties of 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene?

2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene has a molecular weight of 1263.86 g/mol, XLogP of 23.44, 2 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158749676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).