1-OXO-1H-ISOTHIOCHROMENE-3-CARBOXYLIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H6O3S
Molecular Weight	206.218
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-OXO-1H-ISOTHIOCHROMENE-3-CARBOXYLIC ACID

Structure Search

SMILES

OC(=O)C1=CC2=C(C=CC=C2)C(=O)S1

InChI

InChIKey=MFYRORXZDLTDBJ-UHFFFAOYSA-N

InChI=1S/C10H6O3S/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C10H6O3S
Molecular Weight	206.218
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 19:57:06 GMT 2025` Edited by `admin` on `Tue Apr 01 19:57:06 GMT 2025`
Record UNII	SZ2QF39N41
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-OXO-1H-ISOTHIOCHROMENE-3-CARBOXYLIC ACID

Systematic Name

English

NSC-403261

Preferred Name

English

1-OXO-1H-2-BENZOTHIOPYRAN-3-CARBOXYLIC ACID

Systematic Name

English

2-THIAISOCOUMARIN-3-CARBOXYLIC ACID

Systematic Name

English

1H-2-BENZOTHIOPYRAN-3-CARBOXYLIC ACID, 1-OXO-

Systematic Name

English

Code System Code Type Description

NSC

403261

Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025

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EPA CompTox

DTXSID40195888

Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025

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FDA UNII

SZ2QF39N41

Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025

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CAS

4361-85-7

Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025

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PUBCHEM

345560

Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025

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