thiophene;2-thiophen-2-ylthiophene

C12H10S3 — CID 158809122

IUPACthiophene;2-thiophen-2-ylthiophene
SMILESc1ccsc1.c1csc(-c2cccs2)c1
InChIInChI=1S/C8H6S2.C4H4S/c1-3-7(9-5-1)8-4-2-6-10-8;1-2-4-5-3-1/h1-6H;1-4H
InChIKeyIULKOACDRUDJON-UHFFFAOYSA-N
MW250.41 g/mol
LogP5.22
Rot. Bonds1

About thiophene;2-thiophen-2-ylthiophene

thiophene;2-thiophen-2-ylthiophene (PubChem CID 158809122) has the molecular formula C12H10S3 and a molecular weight of 250.41 g/mol. Its IUPAC name is thiophene;2-thiophen-2-ylthiophene.

Molecular Properties

Compound Namethiophene;2-thiophen-2-ylthiophene
PubChem CID158809122
Molecular FormulaC12H10S3
Molecular Weight250.41 g/mol
Exact Mass249.99
IUPAC Namethiophene;2-thiophen-2-ylthiophene
SMILESc1ccsc1.c1csc(-c2cccs2)c1
InChIInChI=1S/C8H6S2.C4H4S/c1-3-7(9-5-1)8-4-2-6-10-8;1-2-4-5-3-1/h1-6H;1-4H
InChIKeyIULKOACDRUDJON-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,5-dithiophen-2-ylthiophene;ethane
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1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene
CID 175487267
2-thiophen-2-ylthiophene;triazine
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2H-silole;2-thiophen-2-ylthiophene
CID 174687836
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
thiophene
CID 66625890
2-ethynylthiophene;thiophene
CID 175440846
thiophene;thiophene-2-carbonitrile
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dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915

Frequently Asked Questions

What is the IUPAC name of thiophene;2-thiophen-2-ylthiophene?
The IUPAC name of thiophene;2-thiophen-2-ylthiophene (CID 158809122) is thiophene;2-thiophen-2-ylthiophene.
What is the SMILES notation for thiophene;2-thiophen-2-ylthiophene?
The canonical SMILES for thiophene;2-thiophen-2-ylthiophene is c1ccsc1.c1csc(-c2cccs2)c1.
What is the InChIKey of thiophene;2-thiophen-2-ylthiophene?
The InChIKey is IULKOACDRUDJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S2.C4H4S/c1-3-7(9-5-1)8-4-2-6-10-8;1-2-4-5-3-1/h1-6H;1-4H.
What are the key properties of thiophene;2-thiophen-2-ylthiophene?
thiophene;2-thiophen-2-ylthiophene has a molecular weight of 250.41 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene;2-thiophen-2-ylthiophene is sourced from PubChem (CID 158809122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).