1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone

C13H14O2S2 — CID 62033658

IUPAC1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone
SMILESCc1ccc(C(=O)COCCc2cccs2)s1
InChIInChI=1S/C13H14O2S2/c1-10-4-5-13(17-10)12(14)9-15-7-6-11-3-2-8-16-11/h2-5,8H,6-7,9H2,1H3
InChIKeyYOVVZYAFJYJIKB-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.56
Rot. Bonds6

About 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone

1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone (PubChem CID 62033658) has the molecular formula C13H14O2S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone
PubChem CID62033658
Molecular FormulaC13H14O2S2
Molecular Weight266.39 g/mol
Exact Mass266.04
IUPAC Name1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone
SMILESCc1ccc(C(=O)COCCc2cccs2)s1
InChIInChI=1S/C13H14O2S2/c1-10-4-5-13(17-10)12(14)9-15-7-6-11-3-2-8-16-11/h2-5,8H,6-7,9H2,1H3
InChIKeyYOVVZYAFJYJIKB-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone
CID 62033111
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
3-methyl-4-(2-thiophen-2-ylethoxy)but-2-enoic acid
CID 76974991
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea
CID 47028537
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233
2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide
CID 18779056
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
CID 43612371
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066293

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone (CID 62033658) is 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone is Cc1ccc(C(=O)COCCc2cccs2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone?
The InChIKey is YOVVZYAFJYJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S2/c1-10-4-5-13(17-10)12(14)9-15-7-6-11-3-2-8-16-11/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone?
1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone has a molecular weight of 266.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone is sourced from PubChem (CID 62033658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).