U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H9BrO3S
Molecular Weight 217.081
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Bromo-1-butanesulfonic acid

SMILES

OS(=O)(=O)CCCCBr

InChI

InChIKey=VYQMBDQMIHMOFX-UHFFFAOYSA-N
InChI=1S/C4H9BrO3S/c5-3-1-2-4-9(6,7)8/h1-4H2,(H,6,7,8)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-2687
Preferred Name English
4-Bromo-1-butanesulfonic acid
Systematic Name English
1-Butanesulfonic acid, 4-bromo-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50202239
Created by admin on Tue Apr 01 20:00:08 GMT 2025 , Edited by admin on Tue Apr 01 20:00:08 GMT 2025
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PUBCHEM
407187
Created by admin on Tue Apr 01 20:00:08 GMT 2025 , Edited by admin on Tue Apr 01 20:00:08 GMT 2025
PRIMARY
CAS
7762-89-2
Created by admin on Tue Apr 01 20:00:08 GMT 2025 , Edited by admin on Tue Apr 01 20:00:08 GMT 2025
PRIMARY
FDA UNII
KVS42P6YDJ
Created by admin on Tue Apr 01 20:00:08 GMT 2025 , Edited by admin on Tue Apr 01 20:00:08 GMT 2025
PRIMARY
NSC
2687
Created by admin on Tue Apr 01 20:00:08 GMT 2025 , Edited by admin on Tue Apr 01 20:00:08 GMT 2025
PRIMARY