3,4-XYLENETHIOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H10S
Molecular Weight	138.23
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-XYLENETHIOL

Structure Search

SMILES

CC1=C(C)C=C(S)C=C1

InChI

InChIKey=IDKCKPBAFOIONK-UHFFFAOYSA-N

InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H10S
Molecular Weight	138.23
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 17:36:32 GMT 2025` Edited by `admin` on `Tue Apr 01 17:36:32 GMT 2025`
Record UNII	L4F41SS351
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,4-XYLENETHIOL

Systematic Name

English

3,4-DIMETHYLBENZENETHIOL

Preferred Name

English

BENZENETHIOL, 3,4-DIMETHYL-

Systematic Name

English

3,4-DIMETHYLTHIOPHENOL

Systematic Name

English

Code System Code Type Description

CAS

18800-53-8

Created by admin on Tue Apr 01 17:36:32 GMT 2025 , Edited by admin on Tue Apr 01 17:36:32 GMT 2025

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ECHA (EC/EINECS)

242-587-8

Created by admin on Tue Apr 01 17:36:32 GMT 2025 , Edited by admin on Tue Apr 01 17:36:32 GMT 2025

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FDA UNII

L4F41SS351

Created by admin on Tue Apr 01 17:36:32 GMT 2025 , Edited by admin on Tue Apr 01 17:36:32 GMT 2025

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PUBCHEM

87799

Created by admin on Tue Apr 01 17:36:32 GMT 2025 , Edited by admin on Tue Apr 01 17:36:32 GMT 2025

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EPA CompTox

DTXSID4066418

Created by admin on Tue Apr 01 17:36:32 GMT 2025 , Edited by admin on Tue Apr 01 17:36:32 GMT 2025

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