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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7NO2S
Molecular Weight 169.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Nitrothioanisole

SMILES

CSC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=NEZGPRYOJVPJKL-UHFFFAOYSA-N
InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C7H7NO2S
Molecular Weight 169.201
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 19:42:29 GMT 2025
Edited
by admin
on Tue Apr 01 19:42:29 GMT 2025
Record UNII
P24FB793DH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Nitrothioanisole
Common Name English
NSC-525300
Preferred Name English
1-methylsulfanyl-4-nitrobenzene
Systematic Name English
Benzene, 1-(methylthio)-4-nitro-
Systematic Name English
1-(Methylthio)-4-nitrobenzene
Systematic Name English
NSC-53158
Code English
Code System Code Type Description
PUBCHEM
96109
Created by admin on Tue Apr 01 19:42:29 GMT 2025 , Edited by admin on Tue Apr 01 19:42:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID10220378
Created by admin on Tue Apr 01 19:42:29 GMT 2025 , Edited by admin on Tue Apr 01 19:42:29 GMT 2025
PRIMARY
FDA UNII
P24FB793DH
Created by admin on Tue Apr 01 19:42:29 GMT 2025 , Edited by admin on Tue Apr 01 19:42:29 GMT 2025
PRIMARY
CAS
701-57-5
Created by admin on Tue Apr 01 19:42:29 GMT 2025 , Edited by admin on Tue Apr 01 19:42:29 GMT 2025
PRIMARY
NSC
53158
Created by admin on Tue Apr 01 19:42:29 GMT 2025 , Edited by admin on Tue Apr 01 19:42:29 GMT 2025
PRIMARY
NSC
525300
Created by admin on Tue Apr 01 19:42:29 GMT 2025 , Edited by admin on Tue Apr 01 19:42:29 GMT 2025
PRIMARY