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Details

Stereochemistry ACHIRAL
Molecular Formula C9H17NS
Molecular Weight 171.303
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OCTYL ISOTHIOCYANATE

SMILES

CCCCCCCCN=C=S

InChI

InChIKey=YEZHGQZHWKJPCM-UHFFFAOYSA-N
InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H17NS
Molecular Weight 171.303
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 Sat Dec 16 12:25:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:24 GMT 2023
Record UNII
9I83N3TI03
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTYL ISOTHIOCYANATE
Systematic Name English
1-ISOTHIOCYANATOOCTANE
Systematic Name English
1-OCTYL ISOTHIOCYANATE
Systematic Name English
N-OCTYL ISOTHIOCYANATE
Systematic Name English
Code System Code Type Description
PUBCHEM
78161
Created by admin on Sat Dec 16 12:25:24 GMT 2023 , Edited by admin on Sat Dec 16 12:25:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-625-5
Created by admin on Sat Dec 16 12:25:24 GMT 2023 , Edited by admin on Sat Dec 16 12:25:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID10196120
Created by admin on Sat Dec 16 12:25:24 GMT 2023 , Edited by admin on Sat Dec 16 12:25:24 GMT 2023
PRIMARY
CAS
4430-45-9
Created by admin on Sat Dec 16 12:25:24 GMT 2023 , Edited by admin on Sat Dec 16 12:25:24 GMT 2023
PRIMARY
FDA UNII
9I83N3TI03
Created by admin on Sat Dec 16 12:25:24 GMT 2023 , Edited by admin on Sat Dec 16 12:25:24 GMT 2023
PRIMARY