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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NOS
Molecular Weight 165.212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-1,2-BENZOISOTHIAZOLIN-3-ONE

SMILES

CN1SC2=C(C=CC=C2)C1=O

InChI

InChIKey=RDWXSJCICPOOKO-UHFFFAOYSA-N
InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3

HIDE SMILES / InChI
Molecular Formula C8H7NOS
Molecular Weight 165.212
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

2020
742
PubMed

PubMed

TitleDatePubMed
Interrogating a hexokinase-selected small-molecule library for inhibitors of Plasmodium falciparum hexokinase.
2013 Aug
Patents

Patents

JP2004292449A
1
JP2007099773A
2
JP2009001561A
1
JP2009024003A
1
JP2009024004A
1
JP2011006457A
1
JP2011006458A
1
JP2011006459A
1
JP2011006460A
1
JP2011016816A
2
JP2011016817A
1
JP2011016818A
1
JP2011016819A
1
JP2011021018A
2
JP2011021019A
2
JP2011021020A
4
JP2011251995A
1
JP2011251996A
1
JP2011251997A
1
JP2011251998A
2
JP2011251999A
1
JP2011252000A
1
JP2011252001A
2
JP2011252008A
1
JP2011252009A
1
JP2011252010A
1
JP2011252011A
1
JP5313214B2
2
JP5349425B2
2
JP5349426B2
2
JP5355516B2
2
JP5355517B2
2
JP5355518B2
2
JP5355519B2
2
JP5356467B2
1
JP5356468B2
1
JP5367025B2
1
JP5367026B2
1
JP5367027B2
1
JP5367028B2
1
JP5367029B2
1
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:54:25 GMT 2023
Edited
by admin
on Sat Dec 16 09:54:25 GMT 2023
Record UNII
81PV9X5Y68
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-1,2-BENZOISOTHIAZOLIN-3-ONE
Systematic Name English
1,2-BENZISOTHIAZOL-3(2H)-ONE, 2-METHYL-
Systematic Name English
NSC-520046
Code English
MBIT
Common Name English
Code System Code Type Description
RXCUI
2362185
Created by admin on Sat Dec 16 09:54:25 GMT 2023 , Edited by admin on Sat Dec 16 09:54:25 GMT 2023
PRIMARY
FDA UNII
81PV9X5Y68
Created by admin on Sat Dec 16 09:54:25 GMT 2023 , Edited by admin on Sat Dec 16 09:54:25 GMT 2023
PRIMARY
NSC
520046
Created by admin on Sat Dec 16 09:54:25 GMT 2023 , Edited by admin on Sat Dec 16 09:54:25 GMT 2023
PRIMARY
CAS
2527-66-4
Created by admin on Sat Dec 16 09:54:25 GMT 2023 , Edited by admin on Sat Dec 16 09:54:25 GMT 2023
PRIMARY
DAILYMED
81PV9X5Y68
Created by admin on Sat Dec 16 09:54:25 GMT 2023 , Edited by admin on Sat Dec 16 09:54:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID00325841
Created by admin on Sat Dec 16 09:54:25 GMT 2023 , Edited by admin on Sat Dec 16 09:54:25 GMT 2023
PRIMARY
PUBCHEM
351236
Created by admin on Sat Dec 16 09:54:25 GMT 2023 , Edited by admin on Sat Dec 16 09:54:25 GMT 2023
PRIMARY
NIH
NCATS
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