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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6N2O3S2
Molecular Weight 230.264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-2,1-BENZISOTHIAZOLE-5-SULFONIC ACID

SMILES

NC1=C2C=C(C=CC2=NS1)S(O)(=O)=O

InChI

InChIKey=AOVDONCOLZOGQB-UHFFFAOYSA-N
InChI=1S/C7H6N2O3S2/c8-7-5-3-4(14(10,11)12)1-2-6(5)9-13-7/h1-3H,8H2,(H,10,11,12)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-AMINO-2,1-BENZISOTHIAZOLE-5-SULFONIC ACID
Systematic Name English
2,1-BENZISOTHIAZOLE-5-SULFONIC ACID, 3-AMINO-
Preferred Name English
3-AMINO-2,1-BENZOTHIAZOLE-5-SULFONIC ACID
Systematic Name English
2,1-BENZISOTHIAZOLE-5-SULPHONIC ACID, 3-AMINO-
Systematic Name English
3-AMINO-2,1-BENZISOTHIAZOLE-5-SULPHONIC ACID
Systematic Name English
3-AMINO-2,1-BENZOTHIAZOLE-5-SULPHONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
104612
Created by admin on Tue Apr 01 20:19:39 GMT 2025 , Edited by admin on Tue Apr 01 20:19:39 GMT 2025
PRIMARY
CAS
53815-74-0
Created by admin on Tue Apr 01 20:19:39 GMT 2025 , Edited by admin on Tue Apr 01 20:19:39 GMT 2025
PRIMARY
FDA UNII
79GTS7X6JA
Created by admin on Tue Apr 01 20:19:39 GMT 2025 , Edited by admin on Tue Apr 01 20:19:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID30202090
Created by admin on Tue Apr 01 20:19:39 GMT 2025 , Edited by admin on Tue Apr 01 20:19:39 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-796-2
Created by admin on Tue Apr 01 20:19:39 GMT 2025 , Edited by admin on Tue Apr 01 20:19:39 GMT 2025
PRIMARY
NIH
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