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

C32H30S8 — CID 11802602

IUPAC2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCSc1ccsc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5sccc5SCCCC)s4)s3)s2)s1
InChIInChI=1S/C32H30S8/c1-3-5-17-33-27-15-19-35-31(27)29-13-11-25(39-29)23-9-7-21(37-23)22-8-10-24(38-22)26-12-14-30(40-26)32-28(16-20-36-32)34-18-6-4-2/h7-16,19-20H,3-6,17-18H2,1-2H3
InChIKeyJOBDCWGPQULXCG-UHFFFAOYSA-N
MW671.13 g/mol
LogP14.18
Rot. Bonds13

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

2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 11802602) has the molecular formula C32H30S8 and a molecular weight of 671.13 g/mol. Its IUPAC name is 2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID11802602
Molecular FormulaC32H30S8
Molecular Weight671.13 g/mol
Exact Mass670.01
IUPAC Name2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCSc1ccsc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5sccc5SCCCC)s4)s3)s2)s1
InChIInChI=1S/C32H30S8/c1-3-5-17-33-27-15-19-35-31(27)29-13-11-25(39-29)23-9-7-21(37-23)22-8-10-24(38-22)26-12-14-30(40-26)32-28(16-20-36-32)34-18-6-4-2/h7-16,19-20H,3-6,17-18H2,1-2H3
InChIKeyJOBDCWGPQULXCG-UHFFFAOYSA-N
XLogP14.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.13
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 11802602) is 2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is CCCCSc1ccsc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5sccc5SCCCC)s4)s3)s2)s1.
What is the InChIKey of 2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is JOBDCWGPQULXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30S8/c1-3-5-17-33-27-15-19-35-31(27)29-13-11-25(39-29)23-9-7-21(37-23)22-8-10-24(38-22)26-12-14-30(40-26)32-28(16-20-36-32)34-18-6-4-2/h7-16,19-20H,3-6,17-18H2,1-2H3.
What are the key properties of 2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 671.13 g/mol, XLogP of 14.18, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butylsulfanylthiophen-2-yl)-5-[5-[5-[5-(3-butylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 11802602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).