3-Bromothiophene (C4H3BrS)

3-Bromothiophene presents a C4 framework, aromatic rings, halogen substitution (formula C4H3BrS, CAS 872-31-1). ChemicalTool Reaction can propose ranked disconnections for 3-Bromothiophene from the SMILES Brc1ccsc1.

Target: 3-Bromothiophene
CAS: 872-31-1
Formula: C4H3BrS
Approx. MW: 163.03
SMILES: Brc1ccsc1
PubChem CID: 13383
Approx. carbons: C4

3-Bromothiophene structure

Properties

IUPAC name: 3-bromothiophene
Common names: 3-BROMOTHIOPHENE; Thiophene, 3-bromo-; 3-Thienyl bromide; 3-Bromothiofuran; beta-Bromothiophene; .beta.-Bromothiophene; EINECS 212-821-3; G818Z74YV0; NSC-96612; UNII-G818Z74YV0
Molecular weight: 163.04
Exact mass: 161.91
InChIKey: XCMISAPCWHTVNG-UHFFFAOYSA-N

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3-Bromothiophene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Bromothiophene?

3-Bromothiophene has molecular formula C4H3BrS. Molecular weight about 163.03 g·mol⁻¹.

What is the CAS number of 3-Bromothiophene?

The CAS Registry Number for 3-Bromothiophene is 872-31-1.

Run AI retrosynthesis for 3-Bromothiophene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C4H3BrS.

Related targets

Similar compounds

2-Amino-5-bromopyrimidine 2-Chloropyrazine 2-Chloropyrimidine 2-Chlorothiophene 3-Chlorothiophene 5-Bromo-2-chloropyrimidine

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.