1,4-DIMETHOXY-5-NITRO-2-(P-TOLYLTHIO)BENZENE

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 1,4-DIMETHOXY-5-NITRO-2-(P-TOLYLTHIO)BENZENE

Structure Search

SMILES

COC1=CC(=C(OC)C=C1SC2=CC=C(C)C=C2)[N+]([O-])=O

InChI

InChIKey=PDJISJMRQRYBGA-UHFFFAOYSA-N

InChI=1S/C15H15NO4S/c1-10-4-6-11(7-5-10)21-15-9-13(19-2)12(16(17)18)8-14(15)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 `Sat Dec 16 12:04:05 GMT 2023` Edited by `admin` on `Sat Dec 16 12:04:05 GMT 2023`
Record UNII	UIW9V5VA8U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,4-DIMETHOXY-5-NITRO-2-(P-TOLYLTHIO)BENZENE

Systematic Name

English

1,4-DIMETHOXY-2-(4-METHYLPHENYL)SULFANYL-5-NITROBENZENE

Systematic Name

English

BENZENE, 1,4-DIMETHOXY-2-((4-METHYLPHENYL)THIO)-5-NITRO-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

288-791-0

Created by admin on Sat Dec 16 12:04:05 GMT 2023 , Edited by admin on Sat Dec 16 12:04:05 GMT 2023

PRIMARY

CAS

85896-13-5

Created by admin on Sat Dec 16 12:04:05 GMT 2023 , Edited by admin on Sat Dec 16 12:04:05 GMT 2023

PRIMARY

EPA CompTox

DTXSID00235214

Created by admin on Sat Dec 16 12:04:05 GMT 2023 , Edited by admin on Sat Dec 16 12:04:05 GMT 2023

PRIMARY

FDA UNII

UIW9V5VA8U

Created by admin on Sat Dec 16 12:04:05 GMT 2023 , Edited by admin on Sat Dec 16 12:04:05 GMT 2023

PRIMARY

PUBCHEM

835682

Created by admin on Sat Dec 16 12:04:05 GMT 2023 , Edited by admin on Sat Dec 16 12:04:05 GMT 2023

PRIMARY