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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16N2S6
Molecular Weight 452.723
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-((2-(2-THIOXO-1,3-BENZOTHIAZOL-3(2H)-YL)ETHYL)DITHIO)ETHYL)-1,3-BENZOTHIAZOLE-2(3H)-THIONE

SMILES

S=C1SC2=C(C=CC=C2)N1CCSSCCN3C(=S)SC4=C3C=CC=C4

InChI

InChIKey=CGGOWLWTNIXFIZ-UHFFFAOYSA-N
InChI=1S/C18H16N2S6/c21-17-19(13-5-1-3-7-15(13)25-17)9-11-23-24-12-10-20-14-6-2-4-8-16(14)26-18(20)22/h1-8H,9-12H2

HIDE SMILES / InChI

Molecular Formula C18H16N2S6
Molecular Weight 452.723
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 12:57:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:10 GMT 2023
Record UNII
IEW4AL9DDQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-((2-(2-THIOXO-1,3-BENZOTHIAZOL-3(2H)-YL)ETHYL)DITHIO)ETHYL)-1,3-BENZOTHIAZOLE-2(3H)-THIONE
Systematic Name English
2(3H)-BENZOTHIAZOLETHIONE, 3,3'-(DITHIODI-2,1-ETHANEDIYL)BIS-
Systematic Name English
NSC-125829
Code English
2-BENZOTHIAZOLINETHIONE, 3,3'-(DITHIODIETHYLENE)BIS-
Systematic Name English
Code System Code Type Description
FDA UNII
IEW4AL9DDQ
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
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PUBCHEM
277229
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
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NSC
125829
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
PRIMARY
CAS
22274-87-9
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
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EPA CompTox
DTXSID50176820
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
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