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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9N3O2S
Molecular Weight 211.241
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-Nitrophenyl)methyl carbamimidothioate

SMILES

NC(=N)SCC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=YNTWTDHRYRBPOL-UHFFFAOYSA-N
InChI=1S/C8H9N3O2S/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13/h1-4H,5H2,(H3,9,10)

HIDE SMILES / InChI

Molecular Formula C8H9N3O2S
Molecular Weight 211.241
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 Wed Apr 02 05:37:32 GMT 2025
Edited
by admin
on Wed Apr 02 05:37:32 GMT 2025
Record UNII
AR4R6VK6F2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-Nitrophenyl)methyl carbamimidothioate
Systematic Name English
Carbamimidothioic acid, (4-nitrophenyl)methyl ester
Preferred Name English
Code System Code Type Description
PUBCHEM
78063
Created by admin on Wed Apr 02 05:37:32 GMT 2025 , Edited by admin on Wed Apr 02 05:37:32 GMT 2025
PRIMARY
FDA UNII
AR4R6VK6F2
Created by admin on Wed Apr 02 05:37:32 GMT 2025 , Edited by admin on Wed Apr 02 05:37:32 GMT 2025
PRIMARY
CAS
946-50-9
Created by admin on Wed Apr 02 05:37:32 GMT 2025 , Edited by admin on Wed Apr 02 05:37:32 GMT 2025
PRIMARY