4-Chloro-2,5-dimethylbenzenethiol

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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 4-Chloro-2,5-dimethylbenzenethiol

Structure Search

SMILES

CC1=CC(S)=C(C)C=C1Cl

InChI

InChIKey=OJYSHGUXHULIBN-UHFFFAOYSA-N

InChI=1S/C8H9ClS/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3

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 `Sat Dec 16 20:09:04 GMT 2023` Edited by `admin` on `Sat Dec 16 20:09:04 GMT 2023`
Record UNII	8Q828X65NB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Chloro-2,5-dimethylbenzenethiol

Systematic Name

English

Benzenethiol, 4-chloro-2,5-dimethyl-

Systematic Name

English

Code System Code Type Description

CAS

59962-29-7

Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023

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PUBCHEM

108862

Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023

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EPA CompTox

DTXSID90208679

Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023

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FDA UNII

8Q828X65NB

Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023

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ECHA (EC/EINECS)

261-996-2

Created by admin on Sat Dec 16 20:09:04 GMT 2023 , Edited by admin on Sat Dec 16 20:09:04 GMT 2023

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