2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene

C24H14S4 — CID 71378347

IUPAC2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene
SMILESC(#Cc1cccs1)Sc1ccccc1-c1ccccc1SC#Cc1cccs1
InChIInChI=1S/C24H14S4/c1-3-11-23(27-17-13-19-7-5-15-25-19)21(9-1)22-10-2-4-12-24(22)28-18-14-20-8-6-16-26-20/h1-12,15-16H
InChIKeyBBRAPBIWTHDBDB-UHFFFAOYSA-N
MW430.64 g/mol
LogP7.68
Rot. Bonds3

About 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene

2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene (PubChem CID 71378347) has the molecular formula C24H14S4 and a molecular weight of 430.64 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene.

Molecular Properties

Compound Name2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene
PubChem CID71378347
Molecular FormulaC24H14S4
Molecular Weight430.64 g/mol
Exact Mass430.00
IUPAC Name2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene
SMILESC(#Cc1cccs1)Sc1ccccc1-c1ccccc1SC#Cc1cccs1
InChIInChI=1S/C24H14S4/c1-3-11-23(27-17-13-19-7-5-15-25-19)21(9-1)22-10-2-4-12-24(22)28-18-14-20-8-6-16-26-20/h1-12,15-16H
InChIKeyBBRAPBIWTHDBDB-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene?
The IUPAC name of 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene (CID 71378347) is 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene.
What is the SMILES notation for 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene?
The canonical SMILES for 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene is C(#Cc1cccs1)Sc1ccccc1-c1ccccc1SC#Cc1cccs1.
What is the InChIKey of 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene?
The InChIKey is BBRAPBIWTHDBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14S4/c1-3-11-23(27-17-13-19-7-5-15-25-19)21(9-1)22-10-2-4-12-24(22)28-18-14-20-8-6-16-26-20/h1-12,15-16H.
What are the key properties of 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene?
2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene has a molecular weight of 430.64 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene is sourced from PubChem (CID 71378347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).