4-bromo-2-(4-thiophen-2-ylbutyl)thiophene

C12H13BrS2 — CID 58276498

IUPAC4-bromo-2-(4-thiophen-2-ylbutyl)thiophene
SMILESBrc1csc(CCCCc2cccs2)c1
InChIInChI=1S/C12H13BrS2/c13-10-8-12(15-9-10)5-2-1-4-11-6-3-7-14-11/h3,6-9H,1-2,4-5H2
InChIKeyMUGOKSBVRUXDSY-UHFFFAOYSA-N
MW301.27 g/mol
LogP5.14
Rot. Bonds5

About 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene

4-bromo-2-(4-thiophen-2-ylbutyl)thiophene (PubChem CID 58276498) has the molecular formula C12H13BrS2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(4-thiophen-2-ylbutyl)thiophene
PubChem CID58276498
Molecular FormulaC12H13BrS2
Molecular Weight301.27 g/mol
Exact Mass299.96
IUPAC Name4-bromo-2-(4-thiophen-2-ylbutyl)thiophene
SMILESBrc1csc(CCCCc2cccs2)c1
InChIInChI=1S/C12H13BrS2/c13-10-8-12(15-9-10)5-2-1-4-11-6-3-7-14-11/h3,6-9H,1-2,4-5H2
InChIKeyMUGOKSBVRUXDSY-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.27
LogP ≤ 55.14
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-(4-fluorobutyl)thiophene
CID 67851736
10-thiophen-2-yldecan-1-ol
CID 22992199
ethane;2-pentylthiophene
CID 143883800
2-(5-chloropentyl)thiophene
CID 4912993
20-thiophen-2-ylicosane-1-thiol
CID 15444594
10-thiophen-2-yldecan-1-amine
CID 22115195
4-bromo-2-(3-thiophen-2-ylpropyl)phenol
CID 174736341
3-thiophen-2-ylpropan-1-ol
CID 13109866
methane;2-undecylthiophene
CID 175504380
4-(4-bromothiophen-2-yl)-1-phenylbutan-1-ol
CID 64513517
2-(bromomethyl)thiophene
CID 11829978
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene?
The IUPAC name of 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene (CID 58276498) is 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene.
What is the SMILES notation for 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene?
The canonical SMILES for 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene is Brc1csc(CCCCc2cccs2)c1.
What is the InChIKey of 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene?
The InChIKey is MUGOKSBVRUXDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrS2/c13-10-8-12(15-9-10)5-2-1-4-11-6-3-7-14-11/h3,6-9H,1-2,4-5H2.
What are the key properties of 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene?
4-bromo-2-(4-thiophen-2-ylbutyl)thiophene has a molecular weight of 301.27 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-thiophen-2-ylbutyl)thiophene is sourced from PubChem (CID 58276498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).