5-methyl-2,3-dithiophen-2-ylfuran

C13H10OS2 — CID 13148574

IUPAC5-methyl-2,3-dithiophen-2-ylfuran
SMILESCc1cc(-c2cccs2)c(-c2cccs2)o1
InChIInChI=1S/C13H10OS2/c1-9-8-10(11-4-2-6-15-11)13(14-9)12-5-3-7-16-12/h2-8H,1H3
InChIKeyVHLJGQQNGHWEBX-UHFFFAOYSA-N
MW246.36 g/mol
LogP5.05
Rot. Bonds2

About 5-methyl-2,3-dithiophen-2-ylfuran

5-methyl-2,3-dithiophen-2-ylfuran (PubChem CID 13148574) has the molecular formula C13H10OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-methyl-2,3-dithiophen-2-ylfuran.

Molecular Properties

Compound Name5-methyl-2,3-dithiophen-2-ylfuran
PubChem CID13148574
Molecular FormulaC13H10OS2
Molecular Weight246.36 g/mol
Exact Mass246.02
IUPAC Name5-methyl-2,3-dithiophen-2-ylfuran
SMILESCc1cc(-c2cccs2)c(-c2cccs2)o1
InChIInChI=1S/C13H10OS2/c1-9-8-10(11-4-2-6-15-11)13(14-9)12-5-3-7-16-12/h2-8H,1H3
InChIKeyVHLJGQQNGHWEBX-UHFFFAOYSA-N
XLogP5.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(4-methylphenyl)sulfonyl-2-thiophen-2-ylfuran
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2-(2,4-dimethylphenyl)thiophene
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4-methyl-5-thiophen-2-ylpyridin-2-amine
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N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline
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5-methyl-4-thiophen-2-ylthiophen-2-amine
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2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
2-(3-bromo-2,5-dimethylphenyl)thiophene
CID 172709193
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
3-amino-5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 62501566
CID 67822914
CID 67822914
CID 89317244
CID 89317244

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dithiophen-2-ylfuran?
The IUPAC name of 5-methyl-2,3-dithiophen-2-ylfuran (CID 13148574) is 5-methyl-2,3-dithiophen-2-ylfuran.
What is the SMILES notation for 5-methyl-2,3-dithiophen-2-ylfuran?
The canonical SMILES for 5-methyl-2,3-dithiophen-2-ylfuran is Cc1cc(-c2cccs2)c(-c2cccs2)o1.
What is the InChIKey of 5-methyl-2,3-dithiophen-2-ylfuran?
The InChIKey is VHLJGQQNGHWEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS2/c1-9-8-10(11-4-2-6-15-11)13(14-9)12-5-3-7-16-12/h2-8H,1H3.
What are the key properties of 5-methyl-2,3-dithiophen-2-ylfuran?
5-methyl-2,3-dithiophen-2-ylfuran has a molecular weight of 246.36 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dithiophen-2-ylfuran is sourced from PubChem (CID 13148574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).