2-(8-bromooctyl)-5-thiophen-2-ylthiophene

C16H21BrS2 — CID 11013746

IUPAC2-(8-bromooctyl)-5-thiophen-2-ylthiophene
SMILESBrCCCCCCCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C16H21BrS2/c17-12-6-4-2-1-3-5-8-14-10-11-16(19-14)15-9-7-13-18-15/h7,9-11,13H,1-6,8,12H2
InChIKeyQVJIFWNVRTUDJM-UHFFFAOYSA-N
MW357.38 g/mol
LogP6.75
Rot. Bonds9

About 2-(8-bromooctyl)-5-thiophen-2-ylthiophene

2-(8-bromooctyl)-5-thiophen-2-ylthiophene (PubChem CID 11013746) has the molecular formula C16H21BrS2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-(8-bromooctyl)-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-(8-bromooctyl)-5-thiophen-2-ylthiophene
PubChem CID11013746
Molecular FormulaC16H21BrS2
Molecular Weight357.38 g/mol
Exact Mass356.03
IUPAC Name2-(8-bromooctyl)-5-thiophen-2-ylthiophene
SMILESBrCCCCCCCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C16H21BrS2/c17-12-6-4-2-1-3-5-8-14-10-11-16(19-14)15-9-7-13-18-15/h7,9-11,13H,1-6,8,12H2
InChIKeyQVJIFWNVRTUDJM-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine
CID 100937102
bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane
CID 102519870
4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
CID 70912798
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(4-bromobutyl)-5-octylthiophene
CID 132557960
2-(2-isothiocyanatoethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
CID 10268546
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
3-(3-chloro-5-ethylphenyl)-2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
CID 68915856
magnesium;2-bromo-5-octylthiophene;2-octyl-5-thiophen-2-ylthiophene;oxolane;2H-thiophen-2-ide;bromide
CID 161126763

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromooctyl)-5-thiophen-2-ylthiophene?
The IUPAC name of 2-(8-bromooctyl)-5-thiophen-2-ylthiophene (CID 11013746) is 2-(8-bromooctyl)-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-(8-bromooctyl)-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-(8-bromooctyl)-5-thiophen-2-ylthiophene is BrCCCCCCCCc1ccc(-c2cccs2)s1.
What is the InChIKey of 2-(8-bromooctyl)-5-thiophen-2-ylthiophene?
The InChIKey is QVJIFWNVRTUDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrS2/c17-12-6-4-2-1-3-5-8-14-10-11-16(19-14)15-9-7-13-18-15/h7,9-11,13H,1-6,8,12H2.
What are the key properties of 2-(8-bromooctyl)-5-thiophen-2-ylthiophene?
2-(8-bromooctyl)-5-thiophen-2-ylthiophene has a molecular weight of 357.38 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromooctyl)-5-thiophen-2-ylthiophene is sourced from PubChem (CID 11013746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).