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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7N3S2
Molecular Weight 221.302
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-METHYL-1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE-3(2H)-THIONE

SMILES

CC1=CC2=C(C=C1)N3C(=S)NN=C3S2

InChI

InChIKey=PNCWBLPFJAQSMI-UHFFFAOYSA-N
InChI=1S/C9H7N3S2/c1-5-2-3-6-7(4-5)14-9-11-10-8(13)12(6)9/h2-4H,1H3,(H,10,13)

HIDE SMILES / InChI

Molecular Formula C9H7N3S2
Molecular Weight 221.302
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 19:49:03 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:03 GMT 2025
Record UNII
8M2FO7FUO3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-295703
Preferred Name English
7-METHYL-1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE-3(2H)-THIONE
Systematic Name English
1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE-3(2H)-THIONE, 7-METHYL-
Systematic Name English
(1,2,4)TRIAZOLO(3,4-B)(1,3)BENZOTHIAZOLE-3(2H)-THIONE, 7-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
8M2FO7FUO3
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
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NSC
295703
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
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PUBCHEM
3003914
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
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CAS
42438-69-7
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
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EPA CompTox
DTXSID40195222
Created by admin on Tue Apr 01 19:49:03 GMT 2025 , Edited by admin on Tue Apr 01 19:49:03 GMT 2025
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