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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18F3NS.ClH
Molecular Weight 385.874
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (E)-N,N-dimethyl-3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propan-1-amine hydrochloride

SMILES

Cl.CN(C)CC\C=C1/C2=C(SC3=C1C=C(C=C3)C(F)(F)F)C=CC=C2

InChI

InChIKey=KAKFVUQHGXFCIM-FJUODKGNSA-N
InChI=1S/C19H18F3NS.ClH/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22;/h3-4,6-10,12H,5,11H2,1-2H3;1H/b14-7+;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H18F3NS
Molecular Weight 349.413
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:56:32 GMT 2025
Edited
by admin
on Mon Mar 31 17:56:32 GMT 2025
Record UNII
QR5VXQ9SNS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(E)-N,N-dimethyl-3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propan-1-amine hydrochloride
Systematic Name English
trans-9-(3-Dimethylaminopropylidene)-2-trifluoromethylthioxanthene hydrochloride
Preferred Name English
Thioxanthene, 9-(3-(dimethylamino)propylidene)-2-trifluoromethyl-, hydrochloride, (E)-
Systematic Name English
NSC-78226
Code English
9-(3-Dimethylaminopropylidene)-2-trifluoromethylthioxanthene hydrochloride, trans-
Common Name English
1-Propanamine, N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]-, hydrochloride, (3E)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30190529
Created by admin on Mon Mar 31 17:56:32 GMT 2025 , Edited by admin on Mon Mar 31 17:56:32 GMT 2025
PRIMARY
PUBCHEM
6444353
Created by admin on Mon Mar 31 17:56:32 GMT 2025 , Edited by admin on Mon Mar 31 17:56:32 GMT 2025
PRIMARY
CAS
37028-28-7
Created by admin on Mon Mar 31 17:56:32 GMT 2025 , Edited by admin on Mon Mar 31 17:56:32 GMT 2025
PRIMARY
NSC
78226
Created by admin on Mon Mar 31 17:56:32 GMT 2025 , Edited by admin on Mon Mar 31 17:56:32 GMT 2025
PRIMARY
FDA UNII
QR5VXQ9SNS
Created by admin on Mon Mar 31 17:56:32 GMT 2025 , Edited by admin on Mon Mar 31 17:56:32 GMT 2025
PRIMARY
Related Record Type Details
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