2-bromothiophene

C4H3BrS — CID 13851

IUPAC2-bromothiophene
SMILESBrc1cccs1
InChIInChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
InChIKeyTUCRZHGAIRVWTI-UHFFFAOYSA-N
MW163.04 g/mol
LogP2.51
Rot. Bonds

About 2-bromothiophene

2-bromothiophene (PubChem CID 13851) has the molecular formula C4H3BrS and a molecular weight of 163.04 g/mol. Its IUPAC name is 2-bromothiophene.

Molecular Properties

Compound Name2-bromothiophene
PubChem CID13851
Molecular FormulaC4H3BrS
Molecular Weight163.04 g/mol
Exact Mass161.91
IUPAC Name2-bromothiophene
SMILESBrc1cccs1
InChIInChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
InChIKeyTUCRZHGAIRVWTI-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.04
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Bromothiophene
CID 13383
2,5-Dibromothiophene
CID 18453
2,3-Dibromothiophene
CID 76590
Thiophene, 2,3,5-tribromo-
CID 76592
2,3,4-Tribromothiophene
CID 76593
2-Bromo-3-methylthiophene
CID 84314
2-Bromo-5-iodothiophene
CID 639657
Thiophene, 2,4-dibromo-
CID 2724560
4-Bromo-2-iodothiophene
CID 12624182
2-Bromo-3-(bromomethyl)thiophene
CID 2735537
2-Bromo-3-iodothiophene
CID 10935115
2-Bromo-5-fluorothiophene
CID 14786521

Frequently Asked Questions

What is the IUPAC name of 2-bromothiophene?
The IUPAC name of 2-bromothiophene (CID 13851) is 2-bromothiophene.
What is the SMILES notation for 2-bromothiophene?
The canonical SMILES for 2-bromothiophene is Brc1cccs1.
What is the InChIKey of 2-bromothiophene?
The InChIKey is TUCRZHGAIRVWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H.
What are the key properties of 2-bromothiophene?
2-bromothiophene has a molecular weight of 163.04 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromothiophene is sourced from PubChem (CID 13851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).