U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H11N3S2.HI
Molecular Weight 413.3
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-phenyl-5-phenylimino-1,2,4-dithiazol-3-amine hydriodide

SMILES

I.N(C1=N\C(SS1)=N\C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=XIIWTMZUBNVJLT-UHFFFAOYSA-N
InChI=1S/C14H11N3S2.HI/c1-3-7-11(8-4-1)15-13-17-14(19-18-13)16-12-9-5-2-6-10-12;/h1-10H,(H,15,16,17);1H

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H11N3S2
Molecular Weight 285.387
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 Sat Dec 16 19:27:03 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:03 GMT 2023
Record UNII
5LDR7JGJ4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-phenyl-5-phenylimino-1,2,4-dithiazol-3-amine hydriodide
Systematic Name English
3H-1,2,4-Dithiazol-5-amine, N-phenyl-3-(phenylimino)-, monohydriodide
Systematic Name English
3H-1,2,4-Dithiazol-5-amine, N-phenyl-3-(phenylimino)-, hydriodide (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
129756030
Created by admin on Sat Dec 16 19:27:04 GMT 2023 , Edited by admin on Sat Dec 16 19:27:04 GMT 2023
PRIMARY
FDA UNII
5LDR7JGJ4N
Created by admin on Sat Dec 16 19:27:04 GMT 2023 , Edited by admin on Sat Dec 16 19:27:04 GMT 2023
PRIMARY
CAS
132166-42-8
Created by admin on Sat Dec 16 19:27:04 GMT 2023 , Edited by admin on Sat Dec 16 19:27:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE