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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
MOL RATIO 4 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
AL1L50WHTS
Record Status Validated (UNII)
Record Version