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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12NO.C7H7O3S
Molecular Weight 333.402
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Ethyl-2-methylbenzoxazolium p-toluenesulfonate

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+]2=C(C)OC3=C2C=CC=C3

InChI

InChIKey=VUQSSSLPKYLMFL-UHFFFAOYSA-M
InChI=1S/C10H12NO.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzoxazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
Preferred Name English
3-Ethyl-2-methylbenzoxazolium p-toluenesulfonate
Systematic Name English
Benzoxazolium, 3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
Systematic Name English
2-Methyl-3-ethyl-benzoxazolium tosylate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0069387
Created by admin on Wed Apr 02 20:19:09 GMT 2025 , Edited by admin on Wed Apr 02 20:19:09 GMT 2025
PRIMARY
FDA UNII
PA57PCQ259
Created by admin on Wed Apr 02 20:19:09 GMT 2025 , Edited by admin on Wed Apr 02 20:19:09 GMT 2025
PRIMARY
ECHA (EC/EINECS)
262-069-5
Created by admin on Wed Apr 02 20:19:09 GMT 2025 , Edited by admin on Wed Apr 02 20:19:09 GMT 2025
PRIMARY
PUBCHEM
108893
Created by admin on Wed Apr 02 20:19:09 GMT 2025 , Edited by admin on Wed Apr 02 20:19:09 GMT 2025
PRIMARY
CAS
60126-36-5
Created by admin on Wed Apr 02 20:19:09 GMT 2025 , Edited by admin on Wed Apr 02 20:19:09 GMT 2025
PRIMARY
NIH
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