2-CHLORO-3-METHYL-9H-THIOXANTHEN-9-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H9ClOS
Molecular Weight	260.739
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-CHLORO-3-METHYL-9H-THIOXANTHEN-9-ONE

Structure Search

SMILES

CC1=CC2=C(C=C1Cl)C(=O)C3=C(S2)C=CC=C3

InChI

InChIKey=DEBJMHLLCFSQFY-UHFFFAOYSA-N

InChI=1S/C14H9ClOS/c1-8-6-13-10(7-11(8)15)14(16)9-4-2-3-5-12(9)17-13/h2-7H,1H3

HIDE SMILES / InChI

Molecular Formula	C14H9ClOS
Molecular Weight	260.739
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 20:29:35 GMT 2025` Edited by `admin` on `Tue Apr 01 20:29:35 GMT 2025`
Record UNII	1RB5RA9GVT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-CHLORO-3-METHYL-9H-THIOXANTHEN-9-ONE

Systematic Name

English

9H-THIOXANTHEN-9-ONE, 2-CHLORO-3-METHYL-

Preferred Name

English

Code System Code Type Description

PUBCHEM

3019370

Created by admin on Tue Apr 01 20:29:35 GMT 2025 , Edited by admin on Tue Apr 01 20:29:35 GMT 2025

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ECHA (EC/EINECS)

280-958-6

Created by admin on Tue Apr 01 20:29:35 GMT 2025 , Edited by admin on Tue Apr 01 20:29:35 GMT 2025

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FDA UNII

1RB5RA9GVT

Created by admin on Tue Apr 01 20:29:35 GMT 2025 , Edited by admin on Tue Apr 01 20:29:35 GMT 2025

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CAS

83817-57-6

Created by admin on Tue Apr 01 20:29:35 GMT 2025 , Edited by admin on Tue Apr 01 20:29:35 GMT 2025

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EPA CompTox

DTXSID20232705

Created by admin on Tue Apr 01 20:29:35 GMT 2025 , Edited by admin on Tue Apr 01 20:29:35 GMT 2025

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