5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene

C20H22S4 — CID 71022659

IUPAC5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene
SMILESCc1cc(C2=CCC(C)S2)c(-c2sc(C)cc2C2=CCC(C)S2)s1
InChIInChI=1S/C20H22S4/c1-11-5-7-17(21-11)15-9-13(3)23-19(15)20-16(10-14(4)24-20)18-8-6-12(2)22-18/h7-12H,5-6H2,1-4H3
InChIKeyHYQULULXJUTUMQ-UHFFFAOYSA-N
MW390.66 g/mol
LogP7.83
Rot. Bonds3

About 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene

5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene (PubChem CID 71022659) has the molecular formula C20H22S4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene
PubChem CID71022659
Molecular FormulaC20H22S4
Molecular Weight390.66 g/mol
Exact Mass390.06
IUPAC Name5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene
SMILESCc1cc(C2=CCC(C)S2)c(-c2sc(C)cc2C2=CCC(C)S2)s1
InChIInChI=1S/C20H22S4/c1-11-5-7-17(21-11)15-9-13(3)23-19(15)20-16(10-14(4)24-20)18-8-6-12(2)22-18/h7-12H,5-6H2,1-4H3
InChIKeyHYQULULXJUTUMQ-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene?
The IUPAC name of 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene (CID 71022659) is 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene is Cc1cc(C2=CCC(C)S2)c(-c2sc(C)cc2C2=CCC(C)S2)s1.
What is the InChIKey of 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene?
The InChIKey is HYQULULXJUTUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22S4/c1-11-5-7-17(21-11)15-9-13(3)23-19(15)20-16(10-14(4)24-20)18-8-6-12(2)22-18/h7-12H,5-6H2,1-4H3.
What are the key properties of 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene?
5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene has a molecular weight of 390.66 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 71022659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).