2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene

C17H16S2 — CID 141257893

IUPAC2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene
SMILESCCc1c(C)cccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C17H16S2/c1-3-13-12(2)6-4-7-14(13)15-9-10-17(19-15)16-8-5-11-18-16/h4-11H,3H2,1-2H3
InChIKeyCVHBVXLJNIAMRF-UHFFFAOYSA-N
MW284.45 g/mol
LogP6.01
Rot. Bonds3

About 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene

2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene (PubChem CID 141257893) has the molecular formula C17H16S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene
PubChem CID141257893
Molecular FormulaC17H16S2
Molecular Weight284.45 g/mol
Exact Mass284.07
IUPAC Name2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene
SMILESCCc1c(C)cccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C17H16S2/c1-3-13-12(2)6-4-7-14(13)15-9-10-17(19-15)16-8-5-11-18-16/h4-11H,3H2,1-2H3
InChIKeyCVHBVXLJNIAMRF-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
CID 141257903
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
2-(3,5-diethylphenyl)-5-thiophen-2-ylthiophene
CID 141257815
CID 67822914
CID 67822914
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 129214307
2-(2,6-dimethylphenyl)thiophene
CID 58838883
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
2-[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-5-thiophen-2-ylthiophene
CID 59188449
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene?
The IUPAC name of 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene (CID 141257893) is 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene is CCc1c(C)cccc1-c1ccc(-c2cccs2)s1.
What is the InChIKey of 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene?
The InChIKey is CVHBVXLJNIAMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16S2/c1-3-13-12(2)6-4-7-14(13)15-9-10-17(19-15)16-8-5-11-18-16/h4-11H,3H2,1-2H3.
What are the key properties of 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene?
2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene has a molecular weight of 284.45 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene is sourced from PubChem (CID 141257893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).