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Details

Stereochemistry ACHIRAL
Molecular Formula C7H3N3O4S
Molecular Weight 225.181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DINITRO-1-THIOCYANOBENZENE

SMILES

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

InChI

InChIKey=XQDQRCRASHAZBA-UHFFFAOYSA-N
InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H

HIDE SMILES / InChI

Molecular Formula C7H3N3O4S
Molecular Weight 225.181
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 Mon Mar 31 19:22:18 GMT 2025
Edited
by admin
on Mon Mar 31 19:22:18 GMT 2025
Record UNII
I0559FK639
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DINITRO-1-THIOCYANOBENZENE
Common Name English
GRZYBOL
Preferred Name English
RDNB
Common Name English
RODATOX 60
Brand Name English
2,4-DINITROPHENYL THIOCYANATE
Systematic Name English
NSC-540
Code English
2,4-DINITROTHIOCYANATOBENZENE
Systematic Name English
NBT (PESTICIDE)
Brand Name English
NIRIT SUPRA
Brand Name English
RHODANDINITROBENZOL
Common Name English
BENZENE, 2,4-DINITRO-1-THIOCYANATO-
Systematic Name English
THIOCYANIC ACID, 2,4-DINITROPHENYL ESTER
Systematic Name English
DINITROPHENYL THIOCYANATE, 2,4-
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 392400
Created by admin on Mon Mar 31 19:22:18 GMT 2025 , Edited by admin on Mon Mar 31 19:22:18 GMT 2025
Code System Code Type Description
FDA UNII
I0559FK639
Created by admin on Mon Mar 31 19:22:18 GMT 2025 , Edited by admin on Mon Mar 31 19:22:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID4041367
Created by admin on Mon Mar 31 19:22:18 GMT 2025 , Edited by admin on Mon Mar 31 19:22:18 GMT 2025
PRIMARY
PUBCHEM
15325
Created by admin on Mon Mar 31 19:22:18 GMT 2025 , Edited by admin on Mon Mar 31 19:22:18 GMT 2025
PRIMARY
NSC
540
Created by admin on Mon Mar 31 19:22:18 GMT 2025 , Edited by admin on Mon Mar 31 19:22:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-477-5
Created by admin on Mon Mar 31 19:22:18 GMT 2025 , Edited by admin on Mon Mar 31 19:22:18 GMT 2025
PRIMARY
CAS
1594-56-5
Created by admin on Mon Mar 31 19:22:18 GMT 2025 , Edited by admin on Mon Mar 31 19:22:18 GMT 2025
PRIMARY
CHEBI
53051
Created by admin on Mon Mar 31 19:22:18 GMT 2025 , Edited by admin on Mon Mar 31 19:22:18 GMT 2025
PRIMARY