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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O6S3
Molecular Weight 376.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2?-Thiobis[5-aminobenzenesulfonic acid]

SMILES

NC1=CC=C(SC2=CC=C(N)C=C2S(O)(=O)=O)C(=C1)S(O)(=O)=O

InChI

InChIKey=CHBFUBKXMBQCKO-UHFFFAOYSA-N
InChI=1S/C12H12N2O6S3/c13-7-1-3-9(11(5-7)22(15,16)17)21-10-4-2-8(14)6-12(10)23(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C12H12N2O6S3
Molecular Weight 376.428
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 Tue Apr 01 17:41:02 GMT 2025
Edited
by admin
on Tue Apr 01 17:41:02 GMT 2025
Record UNII
TKZ75C8HD2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-7838
Preferred Name English
2,2?-Thiobis[5-aminobenzenesulfonic acid]
Systematic Name English
Benzenesulfonic acid, 2,2?-thiobis[5-amino-
Systematic Name English
6,6?-Thiodimetanilic acid
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
204-281-2
Created by admin on Tue Apr 01 17:41:02 GMT 2025 , Edited by admin on Tue Apr 01 17:41:02 GMT 2025
PRIMARY
PUBCHEM
67053
Created by admin on Tue Apr 01 17:41:02 GMT 2025 , Edited by admin on Tue Apr 01 17:41:02 GMT 2025
PRIMARY
CAS
118-86-5
Created by admin on Tue Apr 01 17:41:02 GMT 2025 , Edited by admin on Tue Apr 01 17:41:02 GMT 2025
PRIMARY
NSC
7838
Created by admin on Tue Apr 01 17:41:02 GMT 2025 , Edited by admin on Tue Apr 01 17:41:02 GMT 2025
PRIMARY
FDA UNII
TKZ75C8HD2
Created by admin on Tue Apr 01 17:41:02 GMT 2025 , Edited by admin on Tue Apr 01 17:41:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID8059479
Created by admin on Tue Apr 01 17:41:02 GMT 2025 , Edited by admin on Tue Apr 01 17:41:02 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT