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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H9NO3S
Molecular Weight 187.216
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PYRIDYLETHYLSULFONIC ACID

SMILES

OS(=O)(=O)CCC1=CC=NC=C1

InChI

InChIKey=RGIIAYDCZSXHGL-UHFFFAOYSA-N
InChI=1S/C7H9NO3S/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11)

HIDE SMILES / InChI

Molecular Formula C7H9NO3S
Molecular Weight 187.216
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:44:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:30 GMT 2023
Record UNII
RTI6WS7BYC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PYRIDYLETHYLSULFONIC ACID
Systematic Name English
4-PYRIDINEETHANESULFONIC ACID
Systematic Name English
NSC-87853
Code English
4-(2-SULFOETHYL)PYRIDINE
Systematic Name English
.GAMMA.-(2-SULFOETHYL)PYRIDINE
Systematic Name English
2-(4-PYRIDYL)ETHANESULFONIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
96722
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
CAS
53054-76-5
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
NSC
87853
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID9068823
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
FDA UNII
RTI6WS7BYC
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-331-3
Created by admin on Sat Dec 16 12:44:30 GMT 2023 , Edited by admin on Sat Dec 16 12:44:30 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT