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Details

Stereochemistry ACHIRAL
Molecular Formula C15H21NS
Molecular Weight 247.399
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 8-Phenyloctyl isothiocyanate

SMILES

S=C=NCCCCCCCCC1=CC=CC=C1

InChI

InChIKey=ASHKCODNQLPFEF-UHFFFAOYSA-N
InChI=1S/C15H21NS/c17-14-16-13-9-4-2-1-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,1-4,6,9-10,13H2

HIDE SMILES / InChI

Molecular Formula C15H21NS
Molecular Weight 247.399
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 17:48:36 GMT 2023
Edited
by admin
on Fri Dec 15 17:48:36 GMT 2023
Record UNII
F8RAR6TDF6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-Phenyloctyl isothiocyanate
Systematic Name English
Benzene, (8-isothiocyanatoctyl)-
Systematic Name English
(8-Isothiocyanatoctyl)benzene
Systematic Name English
Phenyloctyl isothiocyanate, 8-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90166265
Created by admin on Fri Dec 15 17:48:36 GMT 2023 , Edited by admin on Fri Dec 15 17:48:36 GMT 2023
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FDA UNII
F8RAR6TDF6
Created by admin on Fri Dec 15 17:48:36 GMT 2023 , Edited by admin on Fri Dec 15 17:48:36 GMT 2023
PRIMARY
CAS
157469-20-0
Created by admin on Fri Dec 15 17:48:36 GMT 2023 , Edited by admin on Fri Dec 15 17:48:36 GMT 2023
PRIMARY
PUBCHEM
154690
Created by admin on Fri Dec 15 17:48:36 GMT 2023 , Edited by admin on Fri Dec 15 17:48:36 GMT 2023
PRIMARY