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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NS
Molecular Weight 149.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENZYL ISOTHIOCYANATE

SMILES

S=C=NCC1=CC=CC=C1

InChI

InChIKey=MDKCFLQDBWCQCV-UHFFFAOYSA-N
InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

HIDE SMILES / InChI

Molecular Formula C8H7NS
Molecular Weight 149.213
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
871J6YOR8Q
Record Status Validated (UNII)
Record Version