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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O3S2
Molecular Weight 268.352
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-Thienyl)ethyl benzenesulfonate

SMILES

O=S(=O)(OCCC1=CC=CS1)C2=CC=CC=C2

InChI

InChIKey=SXYFRONLEKYUEC-UHFFFAOYSA-N
InChI=1S/C12H12O3S2/c13-17(14,12-6-2-1-3-7-12)15-9-8-11-5-4-10-16-11/h1-7,10H,8-9H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Thiophen-2-ylethyl benzenesulfonate
Preferred Name English
2-(2-Thienyl)ethyl benzenesulfonate
Systematic Name English
2-Thiopheneethanol, benzenesulfonate
Systematic Name English
2-Thiopheneethanol, 2-benzenesulfonate
Systematic Name English
Code System Code Type Description
FDA UNII
2MB2D22RGP
Created by admin on Tue Apr 01 20:29:59 GMT 2025 , Edited by admin on Tue Apr 01 20:29:59 GMT 2025
PRIMARY
PUBCHEM
6366083
Created by admin on Tue Apr 01 20:29:59 GMT 2025 , Edited by admin on Tue Apr 01 20:29:59 GMT 2025
PRIMARY
CAS
85567-51-7
Created by admin on Tue Apr 01 20:29:59 GMT 2025 , Edited by admin on Tue Apr 01 20:29:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID90234776
Created by admin on Tue Apr 01 20:29:59 GMT 2025 , Edited by admin on Tue Apr 01 20:29:59 GMT 2025
PRIMARY
ECHA (EC/EINECS)
287-765-6
Created by admin on Tue Apr 01 20:29:59 GMT 2025 , Edited by admin on Tue Apr 01 20:29:59 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966