3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene

C24H20O2S2 — CID 54347611

IUPAC3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(Sc3ccccc3)s2)cc1
InChIInChI=1S/C24H20O2S2/c1-25-19-12-8-17(9-13-19)22-16-23(18-10-14-20(26-2)15-11-18)28-24(22)27-21-6-4-3-5-7-21/h3-16H,1-2H3
InChIKeyUDJZEQGCEFBYTD-UHFFFAOYSA-N
MW404.56 g/mol
LogP7.25
Rot. Bonds6

About 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene

3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene (PubChem CID 54347611) has the molecular formula C24H20O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene
PubChem CID54347611
Molecular FormulaC24H20O2S2
Molecular Weight404.56 g/mol
Exact Mass404.09
IUPAC Name3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(Sc3ccccc3)s2)cc1
InChIInChI=1S/C24H20O2S2/c1-25-19-12-8-17(9-13-19)22-16-23(18-10-14-20(26-2)15-11-18)28-24(22)27-21-6-4-3-5-7-21/h3-16H,1-2H3
InChIKeyUDJZEQGCEFBYTD-UHFFFAOYSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene (CID 54347611) is 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene is COc1ccc(-c2cc(-c3ccc(OC)cc3)c(Sc3ccccc3)s2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene?
The InChIKey is UDJZEQGCEFBYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2S2/c1-25-19-12-8-17(9-13-19)22-16-23(18-10-14-20(26-2)15-11-18)28-24(22)27-21-6-4-3-5-7-21/h3-16H,1-2H3.
What are the key properties of 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene?
3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene has a molecular weight of 404.56 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene is sourced from PubChem (CID 54347611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).