2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene

C20H14S3 — CID 54495685

IUPAC2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene
SMILESc1ccc(-c2sccc2Sc2ccsc2-c2ccccc2)cc1
InChIInChI=1S/C20H14S3/c1-3-7-15(8-4-1)19-17(11-13-21-19)23-18-12-14-22-20(18)16-9-5-2-6-10-16/h1-14H
InChIKeyXYXNOYTWEOAWFG-UHFFFAOYSA-N
MW350.53 g/mol
LogP7.29
Rot. Bonds4

About 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene

2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene (PubChem CID 54495685) has the molecular formula C20H14S3 and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene.

Molecular Properties

Compound Name2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene
PubChem CID54495685
Molecular FormulaC20H14S3
Molecular Weight350.53 g/mol
Exact Mass350.03
IUPAC Name2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene
SMILESc1ccc(-c2sccc2Sc2ccsc2-c2ccccc2)cc1
InChIInChI=1S/C20H14S3/c1-3-7-15(8-4-1)19-17(11-13-21-19)23-18-12-14-22-20(18)16-9-5-2-6-10-16/h1-14H
InChIKeyXYXNOYTWEOAWFG-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene?
The IUPAC name of 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene (CID 54495685) is 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene.
What is the SMILES notation for 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene?
The canonical SMILES for 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene is c1ccc(-c2sccc2Sc2ccsc2-c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene?
The InChIKey is XYXNOYTWEOAWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14S3/c1-3-7-15(8-4-1)19-17(11-13-21-19)23-18-12-14-22-20(18)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene?
2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene has a molecular weight of 350.53 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene is sourced from PubChem (CID 54495685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).