4-(1-benzothiophen-4-yl)-1-benzothiophene

C16H10S2 — CID 69333548

IUPAC4-(1-benzothiophen-4-yl)-1-benzothiophene
SMILESc1cc(-c2cccc3sccc23)c2ccsc2c1
InChIInChI=1S/C16H10S2/c1-3-11(13-7-9-17-15(13)5-1)12-4-2-6-16-14(12)8-10-18-16/h1-10H
InChIKeySYDSZOLAYSRVIC-UHFFFAOYSA-N
MW266.39 g/mol
LogP5.78
Rot. Bonds1

About 4-(1-benzothiophen-4-yl)-1-benzothiophene

4-(1-benzothiophen-4-yl)-1-benzothiophene (PubChem CID 69333548) has the molecular formula C16H10S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(1-benzothiophen-4-yl)-1-benzothiophene.

Molecular Properties

Compound Name4-(1-benzothiophen-4-yl)-1-benzothiophene
PubChem CID69333548
Molecular FormulaC16H10S2
Molecular Weight266.39 g/mol
Exact Mass266.02
IUPAC Name4-(1-benzothiophen-4-yl)-1-benzothiophene
SMILESc1cc(-c2cccc3sccc23)c2ccsc2c1
InChIInChI=1S/C16H10S2/c1-3-11(13-7-9-17-15(13)5-1)12-4-2-6-16-14(12)8-10-18-16/h1-10H
InChIKeySYDSZOLAYSRVIC-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-4-yl)-1-benzothiophene?
The IUPAC name of 4-(1-benzothiophen-4-yl)-1-benzothiophene (CID 69333548) is 4-(1-benzothiophen-4-yl)-1-benzothiophene.
What is the SMILES notation for 4-(1-benzothiophen-4-yl)-1-benzothiophene?
The canonical SMILES for 4-(1-benzothiophen-4-yl)-1-benzothiophene is c1cc(-c2cccc3sccc23)c2ccsc2c1.
What is the InChIKey of 4-(1-benzothiophen-4-yl)-1-benzothiophene?
The InChIKey is SYDSZOLAYSRVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S2/c1-3-11(13-7-9-17-15(13)5-1)12-4-2-6-16-14(12)8-10-18-16/h1-10H.
What are the key properties of 4-(1-benzothiophen-4-yl)-1-benzothiophene?
4-(1-benzothiophen-4-yl)-1-benzothiophene has a molecular weight of 266.39 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-4-yl)-1-benzothiophene is sourced from PubChem (CID 69333548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).