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Details

Stereochemistry ACHIRAL
Molecular Formula C19H37NS
Molecular Weight 311.569
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Octadecyl isothiocyanate

SMILES

CCCCCCCCCCCCCCCCCCN=C=S

InChI

InChIKey=VJIRSSFEIRFISD-UHFFFAOYSA-N
InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H37NS
Molecular Weight 311.569
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 12:13:09 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:09 GMT 2023
Record UNII
VR5E4V8TRW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Octadecyl isothiocyanate
Systematic Name English
Octadecane, 1-isothiocyanato-
Systematic Name English
1-Isothiocyanatooctadecane
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0062680
Created by admin on Sat Dec 16 12:13:09 GMT 2023 , Edited by admin on Sat Dec 16 12:13:09 GMT 2023
PRIMARY
PUBCHEM
76140
Created by admin on Sat Dec 16 12:13:09 GMT 2023 , Edited by admin on Sat Dec 16 12:13:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-722-1
Created by admin on Sat Dec 16 12:13:09 GMT 2023 , Edited by admin on Sat Dec 16 12:13:09 GMT 2023
PRIMARY
FDA UNII
VR5E4V8TRW
Created by admin on Sat Dec 16 12:13:09 GMT 2023 , Edited by admin on Sat Dec 16 12:13:09 GMT 2023
PRIMARY
CAS
2877-26-1
Created by admin on Sat Dec 16 12:13:09 GMT 2023 , Edited by admin on Sat Dec 16 12:13:09 GMT 2023
PRIMARY