2,5-Dimethoxy-1-[(4-methylphenyl)thio]-3-nitrobenzene

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H15NO4S
Molecular Weight	305.349
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-Dimethoxy-1-[(4-methylphenyl)thio]-3-nitrobenzene

Structure Search

SMILES

COC1=CC(SC2=CC=C(C)C=C2)=C(OC)C(=C1)[N+]([O-])=O

InChI

InChIKey=ZLKCKSPGDUFNEI-UHFFFAOYSA-N

InChI=1S/C15H15NO4S/c1-10-4-6-12(7-5-10)21-14-9-11(19-2)8-13(16(17)18)15(14)20-3/h4-9H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C15H15NO4S
Molecular Weight	305.349
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 `Wed Apr 02 21:25:27 GMT 2025` Edited by `admin` on `Wed Apr 02 21:25:27 GMT 2025`
Record UNII	PA6R9ZMZ9Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,5-Dimethoxy-1-[(4-methylphenyl)thio]-3-nitrobenzene

Systematic Name

English

1,4-Dimethoxy-6-nitro-2-(p-tolylthio)benzene

Preferred Name

English

Benzene, 2,5-dimethoxy-1-[(4-methylphenyl)thio]-3-nitro-

Systematic Name

English

Code System Code Type Description

CAS

55034-13-4

Created by admin on Wed Apr 02 21:25:27 GMT 2025 , Edited by admin on Wed Apr 02 21:25:27 GMT 2025

PRIMARY

EPA CompTox

DTXSID00203574

Created by admin on Wed Apr 02 21:25:27 GMT 2025 , Edited by admin on Wed Apr 02 21:25:27 GMT 2025

PRIMARY

ECHA (EC/EINECS)

259-441-4

Created by admin on Wed Apr 02 21:25:27 GMT 2025 , Edited by admin on Wed Apr 02 21:25:27 GMT 2025

PRIMARY

PUBCHEM

3016928

Created by admin on Wed Apr 02 21:25:27 GMT 2025 , Edited by admin on Wed Apr 02 21:25:27 GMT 2025

PRIMARY

FDA UNII

PA6R9ZMZ9Y

Created by admin on Wed Apr 02 21:25:27 GMT 2025 , Edited by admin on Wed Apr 02 21:25:27 GMT 2025

PRIMARY