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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10N2O3S3
Molecular Weight 338.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(3-METHYLBENZOTHIAZOL-2(3H)-YLIDENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-ACETIC ACID

SMILES

CN1C2=CC=CC=C2S\C1=C3\SC(=S)N(CC(O)=O)C3=O

InChI

InChIKey=RPTCCZCUFYQVQQ-ZRDIBKRKSA-N
InChI=1S/C13H10N2O3S3/c1-14-7-4-2-3-5-8(7)20-12(14)10-11(18)15(6-9(16)17)13(19)21-10/h2-5H,6H2,1H3,(H,16,17)/b12-10+

HIDE SMILES / InChI

Molecular Formula C13H10N2O3S3
Molecular Weight 338.425
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:30:07 GMT 2025
Edited
by admin
on Tue Apr 01 19:30:07 GMT 2025
Record UNII
K8I1SS6BHT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(3-METHYLBENZOTHIAZOL-2(3H)-YLIDENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-ACETIC ACID
Systematic Name English
3-THIAZOLIDINEACETIC ACID, 5-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-4-OXO-2-THIOXO-
Preferred Name English
5-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-4-OXO-2-THIOXO-3-THIAZOLIDINEACETIC ACID
Systematic Name English
5-(3-METHYL-2-BENZOTHIAZOLINYLIDENE)-3-CARBOXYMETHYLRHODANINE
Systematic Name English
Code System Code Type Description
FDA UNII
K8I1SS6BHT
Created by admin on Tue Apr 01 19:30:07 GMT 2025 , Edited by admin on Tue Apr 01 19:30:07 GMT 2025
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EPA CompTox
DTXSID4068321
Created by admin on Tue Apr 01 19:30:07 GMT 2025 , Edited by admin on Tue Apr 01 19:30:07 GMT 2025
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CAS
41504-19-2
Created by admin on Tue Apr 01 19:30:07 GMT 2025 , Edited by admin on Tue Apr 01 19:30:07 GMT 2025
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ECHA (EC/EINECS)
255-416-7
Created by admin on Tue Apr 01 19:30:07 GMT 2025 , Edited by admin on Tue Apr 01 19:30:07 GMT 2025
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PUBCHEM
3037175
Created by admin on Tue Apr 01 19:30:07 GMT 2025 , Edited by admin on Tue Apr 01 19:30:07 GMT 2025
PRIMARY