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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12N2O6S3
Molecular Weight 400.45
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-AMINO-3-SULFOPHENYL)-6-METHYL-7-BENZOTHIAZOLESULFONIC ACID

SMILES

CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C3=CC=C(N)C(=C3)S(O)(=O)=O

InChI

InChIKey=ANZCWTMNWQPOQI-UHFFFAOYSA-N
InChI=1S/C14H12N2O6S3/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)8-3-4-9(15)11(6-8)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C14H12N2O6S3
Molecular Weight 400.45
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 12:14:03 GMT 2023
Edited
by admin
on Sat Dec 16 12:14:03 GMT 2023
Record UNII
8Z5S3B4TYD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-AMINO-3-SULFOPHENYL)-6-METHYL-7-BENZOTHIAZOLESULFONIC ACID
Systematic Name English
7-BENZOTHIAZOLESULFONIC ACID, 2-(4-AMINO-3-SULFOPHENYL)-6-METHYL-
Systematic Name English
2-(4-AMINO-3-SULPHOPHENYL)-6-METHYLBENZOTHIAZOLE-7-SULPHONIC ACID
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
227-471-7
Created by admin on Sat Dec 16 12:14:03 GMT 2023 , Edited by admin on Sat Dec 16 12:14:03 GMT 2023
PRIMARY
CAS
5855-98-1
Created by admin on Sat Dec 16 12:14:03 GMT 2023 , Edited by admin on Sat Dec 16 12:14:03 GMT 2023
PRIMARY
FDA UNII
8Z5S3B4TYD
Created by admin on Sat Dec 16 12:14:03 GMT 2023 , Edited by admin on Sat Dec 16 12:14:03 GMT 2023
PRIMARY
PUBCHEM
79955
Created by admin on Sat Dec 16 12:14:03 GMT 2023 , Edited by admin on Sat Dec 16 12:14:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID6064030
Created by admin on Sat Dec 16 12:14:03 GMT 2023 , Edited by admin on Sat Dec 16 12:14:03 GMT 2023
PRIMARY