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Details

Stereochemistry ACHIRAL
Molecular Formula C13H25NS
Molecular Weight 227.409
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DODECYL ISOTHIOCYANATE

SMILES

CCCCCCCCCCCCN=C=S

InChI

InChIKey=LPVQVNLMFKGGCH-UHFFFAOYSA-N
InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOTHIOCYANIC ACID, DODECYL ESTER
Preferred Name English
DODECYL ISOTHIOCYANATE
Systematic Name English
DODECANE, 1-ISOTHIOCYANATO-
Systematic Name English
1-DODECYLISOTHIOCYANATE
Systematic Name English
N-DODECYL ISOTHIOCYANATE
Common Name English
DODECYL ISOTHIOCYANATE, 1-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30147937
Created by admin on Mon Mar 31 18:53:21 GMT 2025 , Edited by admin on Mon Mar 31 18:53:21 GMT 2025
PRIMARY
CAS
1072-32-8
Created by admin on Mon Mar 31 18:53:21 GMT 2025 , Edited by admin on Mon Mar 31 18:53:21 GMT 2025
PRIMARY
PUBCHEM
66118
Created by admin on Mon Mar 31 18:53:21 GMT 2025 , Edited by admin on Mon Mar 31 18:53:21 GMT 2025
PRIMARY
FDA UNII
572250J55E
Created by admin on Mon Mar 31 18:53:21 GMT 2025 , Edited by admin on Mon Mar 31 18:53:21 GMT 2025
PRIMARY