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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5N3O2S
Molecular Weight 195.199
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NITRO-4-THIOCYANATOANILINE

SMILES

NC1=C(C=C(SC#N)C=C1)[N+]([O-])=O

InChI

InChIKey=QUWHIBBGKKRYFW-UHFFFAOYSA-N
InChI=1S/C7H5N3O2S/c8-4-13-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2

HIDE SMILES / InChI

Molecular Formula C7H5N3O2S
Molecular Weight 195.199
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:07:18 GMT 2023
Edited
by admin
on Fri Dec 15 18:07:18 GMT 2023
Record UNII
P5R584ZAAL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NITRO-4-THIOCYANATOANILINE
Systematic Name English
THIOCYANIC ACID, 4-AMINO-3-NITROPHENYL ESTER
Common Name English
4-THIOCYANO-2-NITROANILINE
Common Name English
ANILINE, 2-NITRO-4-THIOCYANATO
Common Name English
1-AMINO-2-NITRO-4-THIOCYANATOBENZENE
Systematic Name English
4-THIOCYANATO-2-NITROANILINE
Systematic Name English
2-NITRO-4-THIOCYANATOBENZENAMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
104677
Created by admin on Fri Dec 15 18:07:18 GMT 2023 , Edited by admin on Fri Dec 15 18:07:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID9037038
Created by admin on Fri Dec 15 18:07:18 GMT 2023 , Edited by admin on Fri Dec 15 18:07:18 GMT 2023
PRIMARY
FDA UNII
P5R584ZAAL
Created by admin on Fri Dec 15 18:07:18 GMT 2023 , Edited by admin on Fri Dec 15 18:07:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-931-5
Created by admin on Fri Dec 15 18:07:18 GMT 2023 , Edited by admin on Fri Dec 15 18:07:18 GMT 2023
PRIMARY
CAS
54029-45-7
Created by admin on Fri Dec 15 18:07:18 GMT 2023 , Edited by admin on Fri Dec 15 18:07:18 GMT 2023
PRIMARY