2-(1-bromononyl)thiophene

C13H21BrS — CID 65427153

IUPAC2-(1-bromononyl)thiophene
SMILESCCCCCCCCC(Br)c1cccs1
InChIInChI=1S/C13H21BrS/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12H,2-7,9H2,1H3
InChIKeyMWXRVRBCDIPTQC-UHFFFAOYSA-N
MW289.28 g/mol
LogP5.93
Rot. Bonds8

About 2-(1-bromononyl)thiophene

2-(1-bromononyl)thiophene (PubChem CID 65427153) has the molecular formula C13H21BrS and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-(1-bromononyl)thiophene.

Molecular Properties

Compound Name2-(1-bromononyl)thiophene
PubChem CID65427153
Molecular FormulaC13H21BrS
Molecular Weight289.28 g/mol
Exact Mass288.05
IUPAC Name2-(1-bromononyl)thiophene
SMILESCCCCCCCCC(Br)c1cccs1
InChIInChI=1S/C13H21BrS/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12H,2-7,9H2,1H3
InChIKeyMWXRVRBCDIPTQC-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.28
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-tetradecan-7-ylthiophene
CID 137450901
2-heptadecan-5-ylthiophene
CID 19734009
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
2-bromo-5-(1-bromoheptyl)thiophene
CID 114753618
methyl 2-thiophen-2-yloctanoate
CID 67745736
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
2-(1-bromoheptyl)-3-chlorothiophene
CID 114753686
2-(1-thiophen-2-ylnonoxy)ethanol
CID 173348232
N-(dithiophen-2-ylmethyl)octan-1-amine
CID 115567135
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromononyl)thiophene?
The IUPAC name of 2-(1-bromononyl)thiophene (CID 65427153) is 2-(1-bromononyl)thiophene.
What is the SMILES notation for 2-(1-bromononyl)thiophene?
The canonical SMILES for 2-(1-bromononyl)thiophene is CCCCCCCCC(Br)c1cccs1.
What is the InChIKey of 2-(1-bromononyl)thiophene?
The InChIKey is MWXRVRBCDIPTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrS/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12H,2-7,9H2,1H3.
What are the key properties of 2-(1-bromononyl)thiophene?
2-(1-bromononyl)thiophene has a molecular weight of 289.28 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromononyl)thiophene is sourced from PubChem (CID 65427153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).