2-bromo-3-(5-dodecylthiophen-2-yl)thiophene

C20H29BrS2 — CID 69300952

IUPAC2-bromo-3-(5-dodecylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCCCc1ccc(-c2ccsc2Br)s1
InChIInChI=1S/C20H29BrS2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(23-17)18-15-16-22-20(18)21/h13-16H,2-12H2,1H3
InChIKeyDEAVNWFMYSWOKT-UHFFFAOYSA-N
MW413.49 g/mol
LogP8.70
Rot. Bonds12

About 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene

2-bromo-3-(5-dodecylthiophen-2-yl)thiophene (PubChem CID 69300952) has the molecular formula C20H29BrS2 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-bromo-3-(5-dodecylthiophen-2-yl)thiophene
PubChem CID69300952
Molecular FormulaC20H29BrS2
Molecular Weight413.49 g/mol
Exact Mass412.09
IUPAC Name2-bromo-3-(5-dodecylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCCCc1ccc(-c2ccsc2Br)s1
InChIInChI=1S/C20H29BrS2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(23-17)18-15-16-22-20(18)21/h13-16H,2-12H2,1H3
InChIKeyDEAVNWFMYSWOKT-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.49
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2,5-diheptylthiophene
CID 607114
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 102394967
2-[2,3-diethynyl-4-(5-tetradecylthiophen-2-yl)phenyl]-5-tetradecylthiophene
CID 90074433
2-bromo-3-icosylthiophene
CID 141267982
2-bromo-3-dodecylthiophene
CID 10426816
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-7-[5-[4-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 102170175
2,5-bis(5-hexylthiophen-2-yl)terephthalic acid
CID 67094583

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene?
The IUPAC name of 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene (CID 69300952) is 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene?
The canonical SMILES for 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene is CCCCCCCCCCCCc1ccc(-c2ccsc2Br)s1.
What is the InChIKey of 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene?
The InChIKey is DEAVNWFMYSWOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrS2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(23-17)18-15-16-22-20(18)21/h13-16H,2-12H2,1H3.
What are the key properties of 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene?
2-bromo-3-(5-dodecylthiophen-2-yl)thiophene has a molecular weight of 413.49 g/mol, XLogP of 8.70, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(5-dodecylthiophen-2-yl)thiophene is sourced from PubChem (CID 69300952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).