2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene

C24H26S6 — CID 10505776

IUPAC2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESCCCCSc1ccsc1-c1ccc(-c2ccc(-c3sccc3SCCCC)s2)s1
InChIInChI=1S/C24H26S6/c1-3-5-13-25-19-11-15-27-23(19)21-9-7-17(29-21)18-8-10-22(30-18)24-20(12-16-28-24)26-14-6-4-2/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKeyFKMAWNUJEZKDLE-UHFFFAOYSA-N
MW506.87 g/mol
LogP10.72
Rot. Bonds11

About 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene

2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene (PubChem CID 10505776) has the molecular formula C24H26S6 and a molecular weight of 506.87 g/mol. Its IUPAC name is 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene
PubChem CID10505776
Molecular FormulaC24H26S6
Molecular Weight506.87 g/mol
Exact Mass506.04
IUPAC Name2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESCCCCSc1ccsc1-c1ccc(-c2ccc(-c3sccc3SCCCC)s2)s1
InChIInChI=1S/C24H26S6/c1-3-5-13-25-19-11-15-27-23(19)21-9-7-17(29-21)18-8-10-22(30-18)24-20(12-16-28-24)26-14-6-4-2/h7-12,15-16H,3-6,13-14H2,1-2H3
InChIKeyFKMAWNUJEZKDLE-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.87
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene (CID 10505776) is 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene is CCCCSc1ccsc1-c1ccc(-c2ccc(-c3sccc3SCCCC)s2)s1.
What is the InChIKey of 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene?
The InChIKey is FKMAWNUJEZKDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26S6/c1-3-5-13-25-19-11-15-27-23(19)21-9-7-17(29-21)18-8-10-22(30-18)24-20(12-16-28-24)26-14-6-4-2/h7-12,15-16H,3-6,13-14H2,1-2H3.
What are the key properties of 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene?
2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene has a molecular weight of 506.87 g/mol, XLogP of 10.72, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butylsulfanylthiophen-2-yl)-5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 10505776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).