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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17NS
Molecular Weight 219.346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-Phenylhexyl isothiocyanate

SMILES

S=C=NCCCCCCC1=CC=CC=C1

InChI

InChIKey=VJNWEQGIPZMBMA-UHFFFAOYSA-N
InChI=1S/C13H17NS/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2

HIDE SMILES / InChI

Molecular Formula C13H17NS
Molecular Weight 219.346
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:01:32 GMT 2023
Edited
by admin
on Fri Dec 15 18:01:32 GMT 2023
Record UNII
PCB7WLT5ZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Phenylhexyl isothiocyanate
Systematic Name English
(6-Isothiocyanatohexyl)benzene
Systematic Name English
Benzene, (6-isothiocyanatohexyl)-
Systematic Name English
PHENYLHEXYL ISOTHIOCYANATE, 6-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID3021146
Created by admin on Fri Dec 15 18:01:32 GMT 2023 , Edited by admin on Fri Dec 15 18:01:32 GMT 2023
PRIMARY
PUBCHEM
114757
Created by admin on Fri Dec 15 18:01:32 GMT 2023 , Edited by admin on Fri Dec 15 18:01:32 GMT 2023
PRIMARY
CAS
133920-06-6
Created by admin on Fri Dec 15 18:01:32 GMT 2023 , Edited by admin on Fri Dec 15 18:01:32 GMT 2023
PRIMARY
FDA UNII
PCB7WLT5ZX
Created by admin on Fri Dec 15 18:01:32 GMT 2023 , Edited by admin on Fri Dec 15 18:01:32 GMT 2023
PRIMARY