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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5NO3S3
Molecular Weight 247.315
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-THIOXO-2,3-DIHYDROBENZO(D)THIAZOLE-6-SULFONIC ACID

SMILES

OS(=O)(=O)C1=CC2=C(NC(=S)S2)C=C1

InChI

InChIKey=BQWXNGQUOGGJAU-UHFFFAOYSA-N
InChI=1S/C7H5NO3S3/c9-14(10,11)4-1-2-5-6(3-4)13-7(12)8-5/h1-3H,(H,8,12)(H,9,10,11)

HIDE SMILES / InChI

Molecular Formula C7H5NO3S3
Molecular Weight 247.315
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 Sat Dec 16 13:13:34 GMT 2023
Edited
by admin
on Sat Dec 16 13:13:34 GMT 2023
Record UNII
L87UNU3OJL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-THIOXO-2,3-DIHYDROBENZO(D)THIAZOLE-6-SULFONIC ACID
Systematic Name English
2,3-DIHYDRO-2-THIOXOBENZOTHIAZOLE-6-SULFONIC ACID
Systematic Name English
6-BENZOTHIAZOLESULFONIC ACID, 2,3-DIHYDRO-2-THIOXO-
Systematic Name English
2-SULFANYLIDENE-2,3-DIHYDRO-1,3-BENZOTHIAZOLE-6-SULFONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
L87UNU3OJL
Created by admin on Sat Dec 16 13:13:34 GMT 2023 , Edited by admin on Sat Dec 16 13:13:34 GMT 2023
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CAS
29401-60-3
Created by admin on Sat Dec 16 13:13:34 GMT 2023 , Edited by admin on Sat Dec 16 13:13:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID60183626
Created by admin on Sat Dec 16 13:13:34 GMT 2023 , Edited by admin on Sat Dec 16 13:13:34 GMT 2023
PRIMARY
PUBCHEM
2802159
Created by admin on Sat Dec 16 13:13:34 GMT 2023 , Edited by admin on Sat Dec 16 13:13:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-607-4
Created by admin on Sat Dec 16 13:13:34 GMT 2023 , Edited by admin on Sat Dec 16 13:13:34 GMT 2023
PRIMARY