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

Details

Stereochemistry ACHIRAL
Molecular Formula 4C5H4NOS.Ti
Molecular Weight 552.492
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRITHIONE TITANIUM

SMILES

[Ti+4].[O-][N+]1=CC=CC=C1[S-].[O-][N+]2=CC=CC=C2[S-].[O-][N+]3=CC=CC=C3[S-].[O-][N+]4=CC=CC=C4[S-]

InChI

InChIKey=ZFPZLXHMZZGXMO-UHFFFAOYSA-J
InChI=1S/4C5H5NOS.Ti/c4*7-6-4-2-1-3-5(6)8;/h4*1-4,8H;/q;;;;+4/p-4

HIDE SMILES / InChI

Molecular Formula C5H5NOS
Molecular Weight 127.164
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ti
Molecular Weight 47.867
Charge 4
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 Fri Dec 15 15:18:09 GMT 2023
Edited
by admin
on Fri Dec 15 15:18:09 GMT 2023
Record UNII
AL1L50WHTS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRITHIONE TITANIUM
Common Name English
TITANIUM, TETRAKIS(1-HYDROXY-2(1H)-PYRIDINETHIONATO-O,S)-
Common Name English
PYRIDINETHIOL, 1-OXIDE, TITANIUM(4+) SALT
Common Name English
Code System Code Type Description
PUBCHEM
71586955
Created by admin on Fri Dec 15 15:18:09 GMT 2023 , Edited by admin on Fri Dec 15 15:18:09 GMT 2023
PRIMARY
CAS
12570-37-5
Created by admin on Fri Dec 15 15:18:09 GMT 2023 , Edited by admin on Fri Dec 15 15:18:09 GMT 2023
PRIMARY
FDA UNII
AL1L50WHTS
Created by admin on Fri Dec 15 15:18:09 GMT 2023 , Edited by admin on Fri Dec 15 15:18:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE