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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9ClNS.Cl
Molecular Weight 234.145
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-2-ethyl-1,2-benzisothiazolium chloride

SMILES

[Cl-].CC[N+]1=C(Cl)C2=C(S1)C=CC=C2

InChI

InChIKey=FDHPAUZRMMITIA-UHFFFAOYSA-M
InChI=1S/C9H9ClNS.ClH/c1-2-11-9(10)7-5-3-4-6-8(7)12-11;/h3-6H,2H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C9H9ClNS
Molecular Weight 198.692
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
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 Tue Apr 01 18:51:26 GMT 2025
Edited
by admin
on Tue Apr 01 18:51:26 GMT 2025
Record UNII
NRL576H6MQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Chloro-2-ethyl-1,2-benzisothiazolium chloride
Systematic Name English
1,2-Benzisothiazolium, 3-chloro-2-ethyl-, chloride
Preferred Name English
1,2-Benzisothiazolium, 3-chloro-2-ethyl-, chloride (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
231-859-1
Created by admin on Tue Apr 01 18:51:26 GMT 2025 , Edited by admin on Tue Apr 01 18:51:26 GMT 2025
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FDA UNII
NRL576H6MQ
Created by admin on Tue Apr 01 18:51:26 GMT 2025 , Edited by admin on Tue Apr 01 18:51:26 GMT 2025
PRIMARY
CAS
7765-82-4
Created by admin on Tue Apr 01 18:51:26 GMT 2025 , Edited by admin on Tue Apr 01 18:51:26 GMT 2025
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EPA CompTox
DTXSID10228298
Created by admin on Tue Apr 01 18:51:26 GMT 2025 , Edited by admin on Tue Apr 01 18:51:26 GMT 2025
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PUBCHEM
12257877
Created by admin on Tue Apr 01 18:51:26 GMT 2025 , Edited by admin on Tue Apr 01 18:51:26 GMT 2025
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Related Record Type Details
PARENT -> SALT/SOLVATE