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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N3OS
Molecular Weight 193.226
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)one

SMILES

SCN1N=NC2=C(C=CC=C2)C1=O

InChI

InChIKey=JUQVZSJBYSTBNM-UHFFFAOYSA-N
InChI=1S/C8H7N3OS/c12-8-6-3-1-2-4-7(6)9-10-11(8)5-13/h1-4,13H,5H2

HIDE SMILES / InChI

Molecular Formula C8H7N3OS
Molecular Weight 193.226
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 12:10:20 GMT 2023
Edited
by admin
on Sat Dec 16 12:10:20 GMT 2023
Record UNII
4C2RG569LU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)one
Systematic Name English
3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one
Systematic Name English
1,2,3-Benzotriazin-4(3H)-one, 3-(mercaptomethyl)-
Systematic Name English
Code System Code Type Description
CAS
28527-10-8
Created by admin on Sat Dec 16 12:10:20 GMT 2023 , Edited by admin on Sat Dec 16 12:10:20 GMT 2023
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FDA UNII
4C2RG569LU
Created by admin on Sat Dec 16 12:10:20 GMT 2023 , Edited by admin on Sat Dec 16 12:10:20 GMT 2023
PRIMARY
PUBCHEM
23615577
Created by admin on Sat Dec 16 12:10:20 GMT 2023 , Edited by admin on Sat Dec 16 12:10:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID70951217
Created by admin on Sat Dec 16 12:10:20 GMT 2023 , Edited by admin on Sat Dec 16 12:10:20 GMT 2023
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