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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8OS
Molecular Weight 164.224
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isothiochroman-4-one

SMILES

O=C1CSCC2=C1C=CC=C2

InChI

InChIKey=WXGFRIMZEZRKFH-UHFFFAOYSA-N
InChI=1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Isothiochroman-4-one
Systematic Name English
NSC-208878
Preferred Name English
2-Thioisochroman-4-one
Systematic Name English
4-Oxoisothiochroman
Systematic Name English
1H-2-Benzothiopyran-4(3H)-one
Systematic Name English
3,4-Dihydro-1H-2-benzothiopyran-4-one
Systematic Name English
ISOTHIOCHROMANONE
Systematic Name English
4-Isothiachromanone
Systematic Name English
1H-Isothiochromen-4-one
Systematic Name English
3,4-dihydro-1H-2-benzothiopyran-4-one
Systematic Name English
Code System Code Type Description
PUBCHEM
78150
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
208878
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
C8KE255SYK
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
DTXSID20196090
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
4426-76-0
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
SUBSTANCE RECORD
Structure of Isothiochroman-4-one
NIH
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