2-(bromomethyl)thiophene

C5H5BrS — CID 11829978

IUPAC2-(bromomethyl)thiophene
SMILESBrCc1cccs1
InChIInChI=1S/C5H5BrS/c6-4-5-2-1-3-7-5/h1-3H,4H2
InChIKeyQZOBOLDDGXPTBP-UHFFFAOYSA-N
MW177.07 g/mol
LogP2.64
Rot. Bonds1

About 2-(bromomethyl)thiophene

2-(bromomethyl)thiophene (PubChem CID 11829978) has the molecular formula C5H5BrS and a molecular weight of 177.07 g/mol. Its IUPAC name is 2-(bromomethyl)thiophene.

Molecular Properties

Compound Name2-(bromomethyl)thiophene
PubChem CID11829978
Molecular FormulaC5H5BrS
Molecular Weight177.07 g/mol
Exact Mass175.93
IUPAC Name2-(bromomethyl)thiophene
SMILESBrCc1cccs1
InChIInChI=1S/C5H5BrS/c6-4-5-2-1-3-7-5/h1-3H,4H2
InChIKeyQZOBOLDDGXPTBP-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-pentylthiophene
CID 143883800
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
3-thiophen-2-ylpropan-1-ol
CID 13109866
2-(4-thiophen-2-ylbut-2-ynyl)thiophene
CID 102075129
thiophen-2-ylmethylphosphane;hydroiodide
CID 174619498
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
2-(4-fluorobutyl)thiophene
CID 67851736
2-(3-bromoprop-2-enyl)thiophene
CID 173138002
CID 59269201
CID 59269201
4-bromo-2-(4-thiophen-2-ylbutyl)thiophene
CID 58276498
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)thiophene?
The IUPAC name of 2-(bromomethyl)thiophene (CID 11829978) is 2-(bromomethyl)thiophene.
What is the SMILES notation for 2-(bromomethyl)thiophene?
The canonical SMILES for 2-(bromomethyl)thiophene is BrCc1cccs1.
What is the InChIKey of 2-(bromomethyl)thiophene?
The InChIKey is QZOBOLDDGXPTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrS/c6-4-5-2-1-3-7-5/h1-3H,4H2.
What are the key properties of 2-(bromomethyl)thiophene?
2-(bromomethyl)thiophene has a molecular weight of 177.07 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)thiophene is sourced from PubChem (CID 11829978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).