1-Chloro-4-[(methylthio)methyl]benzene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9ClS
Molecular Weight	172.675
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Chloro-4-[(methylthio)methyl]benzene

Structure Search

SMILES

CSCC1=CC=C(Cl)C=C1

InChI

InChIKey=IXJYIAHRRUZCOB-UHFFFAOYSA-N

InChI=1S/C8H9ClS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H9ClS
Molecular Weight	172.675
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 19:26:22 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:22 GMT 2025`
Record UNII	CM3X2RG68L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzene, 1-chloro-4-[(methylthio)methyl]-

Preferred Name

English

1-Chloro-4-[(methylthio)methyl]benzene

Systematic Name

English

Code System Code Type Description

PUBCHEM

80025

Created by admin on Tue Apr 01 19:26:22 GMT 2025 , Edited by admin on Tue Apr 01 19:26:22 GMT 2025

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EPA CompTox

DTXSID80207979

Created by admin on Tue Apr 01 19:26:22 GMT 2025 , Edited by admin on Tue Apr 01 19:26:22 GMT 2025

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FDA UNII

CM3X2RG68L

Created by admin on Tue Apr 01 19:26:22 GMT 2025 , Edited by admin on Tue Apr 01 19:26:22 GMT 2025

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CAS

5925-82-6

Created by admin on Tue Apr 01 19:26:22 GMT 2025 , Edited by admin on Tue Apr 01 19:26:22 GMT 2025

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ECHA (EC/EINECS)

227-657-8

Created by admin on Tue Apr 01 19:26:22 GMT 2025 , Edited by admin on Tue Apr 01 19:26:22 GMT 2025

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