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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O2S
Molecular Weight 166.197
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,1-BENZOXATHIAN-4-ONE

SMILES

O=C1OCSC2=CC=CC=C12

InChI

InChIKey=DMHIXXWAEUHFBS-UHFFFAOYSA-N
InChI=1S/C8H6O2S/c9-8-6-3-1-2-4-7(6)11-5-10-8/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6O2S
Molecular Weight 166.197
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 19:35:54 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:54 GMT 2025
Record UNII
8T473X1HA4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-58104
Preferred Name English
3,1-BENZOXATHIAN-4-ONE
Systematic Name English
BENZOIC ACID, O-((HYDROXYMETHYL)THIO)-, .GAMMA.-LACTONE
Systematic Name English
4H-3,1-BENZOXATHIIN-4-ONE
Systematic Name English
BENZOIC ACID, 2-((HYDROXYMETHYL)THIO)-, .DELTA.-LACTONE
Systematic Name English
BENZOIC ACID, O-((HYDROXYMETHYL)THIO)-, .DELTA.-LACTONE
Systematic Name English
Code System Code Type Description
PUBCHEM
245821
Created by admin on Tue Apr 01 19:35:54 GMT 2025 , Edited by admin on Tue Apr 01 19:35:54 GMT 2025
PRIMARY
NSC
58104
Created by admin on Tue Apr 01 19:35:54 GMT 2025 , Edited by admin on Tue Apr 01 19:35:54 GMT 2025
PRIMARY
CAS
5651-33-2
Created by admin on Tue Apr 01 19:35:54 GMT 2025 , Edited by admin on Tue Apr 01 19:35:54 GMT 2025
PRIMARY
FDA UNII
8T473X1HA4
Created by admin on Tue Apr 01 19:35:54 GMT 2025 , Edited by admin on Tue Apr 01 19:35:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID00205053
Created by admin on Tue Apr 01 19:35:54 GMT 2025 , Edited by admin on Tue Apr 01 19:35:54 GMT 2025
PRIMARY