3-(chloromethyl)-1,1-dioxothiochromen-4-one

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H7ClO3S
Molecular Weight	242.679
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(chloromethyl)-1,1-dioxothiochromen-4-one

Structure Search

SMILES

ClCC1=CS(=O)(=O)C2=CC=CC=C2C1=O

InChI

InChIKey=BDRWMOVNTQHPKN-UHFFFAOYSA-N

InChI=1S/C10H7ClO3S/c11-5-7-6-15(13,14)9-4-2-1-3-8(9)10(7)12/h1-4,6H,5H2

HIDE SMILES / InChI

Molecular Formula	C10H7ClO3S
Molecular Weight	242.679
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 20:13:54 GMT 2025` Edited by `admin` on `Tue Apr 01 20:13:54 GMT 2025`
Record UNII	N6D8A8X665
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(chloromethyl)-1,1-dioxothiochromen-4-one

Systematic Name

English

NSC-332184

Preferred Name

English

3-(CHLOROMETHYL)THIOCHROMONE 1,1-DIOXIDE

Systematic Name

English

4H-1-Benzothiopyran-4-one, 3-(chloromethyl)-, 1,1-dioxide

Systematic Name

English

Code System Code Type Description

CAS

77694-48-5

Created by admin on Tue Apr 01 20:13:54 GMT 2025 , Edited by admin on Tue Apr 01 20:13:54 GMT 2025

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PUBCHEM

100620

Created by admin on Tue Apr 01 20:13:54 GMT 2025 , Edited by admin on Tue Apr 01 20:13:54 GMT 2025

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NSC

332184

Created by admin on Tue Apr 01 20:13:54 GMT 2025 , Edited by admin on Tue Apr 01 20:13:54 GMT 2025

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EPA CompTox

DTXSID90228317

Created by admin on Tue Apr 01 20:13:54 GMT 2025 , Edited by admin on Tue Apr 01 20:13:54 GMT 2025

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FDA UNII

N6D8A8X665

Created by admin on Tue Apr 01 20:13:54 GMT 2025 , Edited by admin on Tue Apr 01 20:13:54 GMT 2025

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