U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2S2.2ClH
Molecular Weight 321.289
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-DITHIODIANILINE DIHYDROCHLORIDE

SMILES

Cl.Cl.NC1=CC=C(SSC2=CC=C(N)C=C2)C=C1

InChI

InChIKey=VQTNNDMTHJSAEA-UHFFFAOYSA-N
InChI=1S/C12H12N2S2.2ClH/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12;;/h1-8H,13-14H2;2*1H

HIDE SMILES / InChI

Molecular Formula C12H12N2S2
Molecular Weight 248.367
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 16:53:03 GMT 2025
Edited
by admin
on Tue Apr 01 16:53:03 GMT 2025
Record UNII
7WK16HR3PU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4'-DITHIODIANILINE DIHYDROCHLORIDE
Systematic Name English
ANILINE, 4,4'-DITHIODI-, DIHYDROCHLORIDE
Preferred Name English
BENZENAMINE, 4,4'-DITHIOBIS-, DIHYDROCHLORIDE
Code English
BENZENAMINE, 4,4'-DITHIOBIS-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
7WK16HR3PU
Created by admin on Tue Apr 01 16:53:03 GMT 2025 , Edited by admin on Tue Apr 01 16:53:03 GMT 2025
PRIMARY
PUBCHEM
81411
Created by admin on Tue Apr 01 16:53:03 GMT 2025 , Edited by admin on Tue Apr 01 16:53:03 GMT 2025
PRIMARY
CAS
6961-89-3
Created by admin on Tue Apr 01 16:53:03 GMT 2025 , Edited by admin on Tue Apr 01 16:53:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID2064521
Created by admin on Tue Apr 01 16:53:03 GMT 2025 , Edited by admin on Tue Apr 01 16:53:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE