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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10NOS.Br
Molecular Weight 284.172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-PHENACYLTHIAZOLIUM BROMIDE

SMILES

[Br-].O=C(C[N+]1=CSC=C1)C2=CC=CC=C2

InChI

InChIKey=CEAFABGKSOIJLH-UHFFFAOYSA-M
InChI=1S/C11H10NOS.BrH/c13-11(8-12-6-7-14-9-12)10-4-2-1-3-5-10;/h1-7,9H,8H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula Br
Molecular Weight 79.904
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H10NOS
Molecular Weight 204.268
Charge 1
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
JE6JEU5BW6
Record Status Validated (UNII)
Record Version