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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11NO2S
Molecular Weight 245.297
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-((P-NITROPHENYL)THIO)TOLUENE

SMILES

CC1=CC=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChI

InChIKey=DLQBSTSAXPLSIP-UHFFFAOYSA-N
InChI=1S/C13H11NO2S/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3

HIDE SMILES / InChI

Molecular Formula C13H11NO2S
Molecular Weight 245.297
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 19:10:07 GMT 2025
Edited
by admin
on Tue Apr 01 19:10:07 GMT 2025
Record UNII
SKB6D2FB97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-((P-NITROPHENYL)THIO)TOLUENE
Common Name English
NSC-149653
Preferred Name English
1-METHYL-4-((4-NITROPHENYL)THIO)BENZENE
Systematic Name English
1-METHYL-4-(4-NITROPHENYL)SULFANYLBENZENE
Systematic Name English
BENZENE, 1-METHYL-4-((4-NITROPHENYL)THIO)-
Systematic Name English
Code System Code Type Description
FDA UNII
SKB6D2FB97
Created by admin on Tue Apr 01 19:10:07 GMT 2025 , Edited by admin on Tue Apr 01 19:10:07 GMT 2025
PRIMARY
PUBCHEM
89869
Created by admin on Tue Apr 01 19:10:07 GMT 2025 , Edited by admin on Tue Apr 01 19:10:07 GMT 2025
PRIMARY
NSC
149653
Created by admin on Tue Apr 01 19:10:07 GMT 2025 , Edited by admin on Tue Apr 01 19:10:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
245-271-8
Created by admin on Tue Apr 01 19:10:07 GMT 2025 , Edited by admin on Tue Apr 01 19:10:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID20177405
Created by admin on Tue Apr 01 19:10:07 GMT 2025 , Edited by admin on Tue Apr 01 19:10:07 GMT 2025
PRIMARY
CAS
22865-48-1
Created by admin on Tue Apr 01 19:10:07 GMT 2025 , Edited by admin on Tue Apr 01 19:10:07 GMT 2025
PRIMARY