3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene

C18H26S2 — CID 56652497

IUPAC3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene
SMILESCc1csc(-c2scc(CC(C)C)c2C)c1CC(C)C
InChIInChI=1S/C18H26S2/c1-11(2)7-15-10-20-17(14(15)6)18-16(8-12(3)4)13(5)9-19-18/h9-12H,7-8H2,1-6H3
InChIKeyPAWBYGFHGXZFPA-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.49
Rot. Bonds5

About 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene

3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene (PubChem CID 56652497) has the molecular formula C18H26S2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene
PubChem CID56652497
Molecular FormulaC18H26S2
Molecular Weight306.54 g/mol
Exact Mass306.15
IUPAC Name3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene
SMILESCc1csc(-c2scc(CC(C)C)c2C)c1CC(C)C
InChIInChI=1S/C18H26S2/c1-11(2)7-15-10-20-17(14(15)6)18-16(8-12(3)4)13(5)9-19-18/h9-12H,7-8H2,1-6H3
InChIKeyPAWBYGFHGXZFPA-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene?
The IUPAC name of 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene (CID 56652497) is 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene.
What is the SMILES notation for 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene?
The canonical SMILES for 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene is Cc1csc(-c2scc(CC(C)C)c2C)c1CC(C)C.
What is the InChIKey of 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene?
The InChIKey is PAWBYGFHGXZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26S2/c1-11(2)7-15-10-20-17(14(15)6)18-16(8-12(3)4)13(5)9-19-18/h9-12H,7-8H2,1-6H3.
What are the key properties of 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene?
3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene has a molecular weight of 306.54 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-methyl-3-(2-methylpropyl)thiophen-2-yl]-4-(2-methylpropyl)thiophene is sourced from PubChem (CID 56652497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).