4-thiophen-3-yl-1-benzothiophene

C12H8S2 — CID 54496149

IUPAC4-thiophen-3-yl-1-benzothiophene
SMILESc1cc(-c2ccsc2)c2ccsc2c1
InChIInChI=1S/C12H8S2/c1-2-10(9-4-6-13-8-9)11-5-7-14-12(11)3-1/h1-8H
InChIKeyIPANYUSEBBTXCC-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.63
Rot. Bonds1

About 4-thiophen-3-yl-1-benzothiophene

4-thiophen-3-yl-1-benzothiophene (PubChem CID 54496149) has the molecular formula C12H8S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-thiophen-3-yl-1-benzothiophene.

Molecular Properties

Compound Name4-thiophen-3-yl-1-benzothiophene
PubChem CID54496149
Molecular FormulaC12H8S2
Molecular Weight216.33 g/mol
Exact Mass216.01
IUPAC Name4-thiophen-3-yl-1-benzothiophene
SMILESc1cc(-c2ccsc2)c2ccsc2c1
InChIInChI=1S/C12H8S2/c1-2-10(9-4-6-13-8-9)11-5-7-14-12(11)3-1/h1-8H
InChIKeyIPANYUSEBBTXCC-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzothiophen-4-yl)-1-benzothiophene
CID 69333548
3-methyl-7-thiophen-3-yl-1-benzothiophene
CID 23543483
2,9-bis(1-benzothiophen-4-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622669
4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole
CID 102164796
cyclopenta[c]thiopyran
CID 584139
2-iodo-3-thiophen-3-ylthiophene
CID 90185098
2-phenyl-4-thiophen-3-ylthiophene
CID 57030400
2-fluoro-6-thiophen-3-ylbenzaldehyde
CID 86672857
3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane
CID 174411937
4-thiophen-3-yl-2,3-dihydroisoindol-1-one
CID 175996469
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene
CID 58130596

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-1-benzothiophene?
The IUPAC name of 4-thiophen-3-yl-1-benzothiophene (CID 54496149) is 4-thiophen-3-yl-1-benzothiophene.
What is the SMILES notation for 4-thiophen-3-yl-1-benzothiophene?
The canonical SMILES for 4-thiophen-3-yl-1-benzothiophene is c1cc(-c2ccsc2)c2ccsc2c1.
What is the InChIKey of 4-thiophen-3-yl-1-benzothiophene?
The InChIKey is IPANYUSEBBTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S2/c1-2-10(9-4-6-13-8-9)11-5-7-14-12(11)3-1/h1-8H.
What are the key properties of 4-thiophen-3-yl-1-benzothiophene?
4-thiophen-3-yl-1-benzothiophene has a molecular weight of 216.33 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-1-benzothiophene is sourced from PubChem (CID 54496149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).