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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H4NS2.Zn
Molecular Weight 397.896
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZINC 2-MERCAPTOBENZOTHIAZOLE

SMILES

[Zn++].[S-]C1=NC2=CC=CC=C2S1.[S-]C3=NC4=CC=CC=C4S3

InChI

InChIKey=PGNWIWKMXVDXHP-UHFFFAOYSA-L
InChI=1S/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C7H5NS2
Molecular Weight 167.251
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
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
HMM5IX9Q3B
Record Status Validated (UNII)
Record Version