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Details

Stereochemistry ACHIRAL
Molecular Formula C7H4N2O2S
Molecular Weight 180.184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Nitro-1,2-benzisothiazole

SMILES

[O-][N+](=O)C1=C2SN=CC2=CC=C1

InChI

InChIKey=XYFHXKUXMXHTPU-UHFFFAOYSA-N
InChI=1S/C7H4N2O2S/c10-9(11)6-3-1-2-5-4-8-12-7(5)6/h1-4H

HIDE SMILES / InChI

Molecular Formula C7H4N2O2S
Molecular Weight 180.184
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 Mon Mar 31 22:13:20 GMT 2025
Edited
by admin
on Mon Mar 31 22:13:20 GMT 2025
Record UNII
X6DYU86MKS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-Benzisothiazole, 7-nitro-
Preferred Name English
7-Nitro-1,2-benzisothiazole
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30237802
Created by admin on Mon Mar 31 22:13:20 GMT 2025 , Edited by admin on Mon Mar 31 22:13:20 GMT 2025
PRIMARY
PUBCHEM
198656
Created by admin on Mon Mar 31 22:13:20 GMT 2025 , Edited by admin on Mon Mar 31 22:13:20 GMT 2025
PRIMARY
CAS
89641-97-4
Created by admin on Mon Mar 31 22:13:20 GMT 2025 , Edited by admin on Mon Mar 31 22:13:20 GMT 2025
PRIMARY
FDA UNII
X6DYU86MKS
Created by admin on Mon Mar 31 22:13:20 GMT 2025 , Edited by admin on Mon Mar 31 22:13:20 GMT 2025
PRIMARY