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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N2OS
Molecular Weight 236.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(Diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one

SMILES

CCN(CC)CN1SC2=C(C=CC=C2)C1=O

InChI

InChIKey=AHUSTNSWINPTNT-UHFFFAOYSA-N
InChI=1S/C12H16N2OS/c1-3-13(4-2)9-14-12(15)10-7-5-6-8-11(10)16-14/h5-8H,3-4,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H16N2OS
Molecular Weight 236.333
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 Wed Apr 02 20:30:32 GMT 2025
Edited
by admin
on Wed Apr 02 20:30:32 GMT 2025
Record UNII
ZMD8C22MEM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(Diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one
Systematic Name English
2-(diethylaminomethyl)-1,2-benzothiazol-3-one
Preferred Name English
Code System Code Type Description
CAS
84012-58-8
Created by admin on Wed Apr 02 20:30:32 GMT 2025 , Edited by admin on Wed Apr 02 20:30:32 GMT 2025
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EPA CompTox
DTXSID601004295
Created by admin on Wed Apr 02 20:30:32 GMT 2025 , Edited by admin on Wed Apr 02 20:30:32 GMT 2025
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FDA UNII
ZMD8C22MEM
Created by admin on Wed Apr 02 20:30:32 GMT 2025 , Edited by admin on Wed Apr 02 20:30:32 GMT 2025
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PUBCHEM
13325810
Created by admin on Wed Apr 02 20:30:32 GMT 2025 , Edited by admin on Wed Apr 02 20:30:32 GMT 2025
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