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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N3O3S
Molecular Weight 371.453
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-NITRO-9H-THIOXANTHEN-9-ONE

SMILES

CCN(CC)CCNC1=CC=C(C2=C1C(=O)C3=C(S2)C=CC=C3)[N+]([O-])=O

InChI

InChIKey=YGJLVGQKEYEPAW-UHFFFAOYSA-N
InChI=1S/C19H21N3O3S/c1-3-21(4-2)12-11-20-14-9-10-15(22(24)25)19-17(14)18(23)13-7-5-6-8-16(13)26-19/h5-10,20H,3-4,11-12H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-313388
Preferred Name English
1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-NITRO-9H-THIOXANTHEN-9-ONE
Systematic Name English
NSC-38111
Code English
9H-THIOXANTHEN-9-ONE, 1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-NITRO-
Systematic Name English
Code System Code Type Description
FDA UNII
F36354IZ9Q
Created by admin on Tue Apr 01 20:11:30 GMT 2025 , Edited by admin on Tue Apr 01 20:11:30 GMT 2025
PRIMARY
NSC
38111
Created by admin on Tue Apr 01 20:11:30 GMT 2025 , Edited by admin on Tue Apr 01 20:11:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID00230401
Created by admin on Tue Apr 01 20:11:30 GMT 2025 , Edited by admin on Tue Apr 01 20:11:30 GMT 2025
PRIMARY
NSC
313388
Created by admin on Tue Apr 01 20:11:30 GMT 2025 , Edited by admin on Tue Apr 01 20:11:30 GMT 2025
PRIMARY
PUBCHEM
329600
Created by admin on Tue Apr 01 20:11:30 GMT 2025 , Edited by admin on Tue Apr 01 20:11:30 GMT 2025
PRIMARY
CAS
80568-01-0
Created by admin on Tue Apr 01 20:11:30 GMT 2025 , Edited by admin on Tue Apr 01 20:11:30 GMT 2025
PRIMARY