3,4-Dichlorobenzyl mercaptan

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6Cl2S
Molecular Weight	193.094
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-Dichlorobenzyl mercaptan

Structure Search

SMILES

SCC1=CC(Cl)=C(Cl)C=C1

InChI

InChIKey=CEGBRSQPRQXALB-UHFFFAOYSA-N

InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2

HIDE SMILES / InChI

Molecular Formula	C7H6Cl2S
Molecular Weight	193.094
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 `Sat Dec 16 12:42:14 GMT 2023` Edited by `admin` on `Sat Dec 16 12:42:14 GMT 2023`
Record UNII	T5L72N5A3X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-Dichlorobenzyl mercaptan

Systematic Name

English

3,4-Dichlorotoluene-α-thiol

Systematic Name

English

Benzenemethanethiol, 3,4-dichloro-

Systematic Name

English

3,4-Dichlorobenzenemethanethiol

Systematic Name

English

α-Toluenethiol, 3,4-dichloro-

Systematic Name

English

Code System Code Type Description

FDA UNII

T5L72N5A3X

Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023

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EPA CompTox

DTXSID50189990

Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023

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ECHA (EC/EINECS)

253-054-4

Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023

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PUBCHEM

118986

Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023

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CAS

36480-40-7

Created by admin on Sat Dec 16 12:42:14 GMT 2023 , Edited by admin on Sat Dec 16 12:42:14 GMT 2023

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