2-THIOISOCOUMARIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6OS
Molecular Weight	162.208
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-THIOISOCOUMARIN

Structure Search

SMILES

O=C1SC=CC2=C1C=CC=C2

InChI

InChIKey=CNUDDOHXAPFILY-UHFFFAOYSA-N

InChI=1S/C9H6OS/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H

HIDE SMILES / InChI

Molecular Formula	C9H6OS
Molecular Weight	162.208
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 19:34:28 GMT 2025` Edited by `admin` on `Tue Apr 01 19:34:28 GMT 2025`
Record UNII	2KN5BC1OE4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-THIOISOCOUMARIN

Systematic Name

English

NSC-404000

Preferred Name

English

1H-2-BENZOTHIOPYRAN-1-ONE

Systematic Name

English

1H-ISOTHIOCHROMEN-1-ONE

Systematic Name

English

Code System Code Type Description

CAS

5962-03-8

Created by admin on Tue Apr 01 19:34:28 GMT 2025 , Edited by admin on Tue Apr 01 19:34:28 GMT 2025

PRIMARY

NSC

404000

Created by admin on Tue Apr 01 19:34:28 GMT 2025 , Edited by admin on Tue Apr 01 19:34:28 GMT 2025

PRIMARY

EPA CompTox

DTXSID10208292

Created by admin on Tue Apr 01 19:34:28 GMT 2025 , Edited by admin on Tue Apr 01 19:34:28 GMT 2025

PRIMARY

FDA UNII

2KN5BC1OE4

Created by admin on Tue Apr 01 19:34:28 GMT 2025 , Edited by admin on Tue Apr 01 19:34:28 GMT 2025

PRIMARY

PUBCHEM

346006

Created by admin on Tue Apr 01 19:34:28 GMT 2025 , Edited by admin on Tue Apr 01 19:34:28 GMT 2025

PRIMARY