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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NS
Molecular Weight 163.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PHENETHYL ISOTHIOCYANATE

SMILES

S=C=NCCC1=CC=CC=C1

InChI

InChIKey=IZJDOKYDEWTZSO-UHFFFAOYSA-N
InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
PHENETHYL ISOTHIOCYANATE
MI  
Systematic Name English
ISOTHIOCYANIC ACID, PHENETHYL ESTER
Common Name English
PHENYLETHYL ISOTHIOCYANATE [FHFI]
Common Name English
PHENYLETHYL ISOTHIOCYANATE
FHFI  
Systematic Name English
PEITC
Common Name English
.BETA.-PHENYLETHYL ISOTHIOCYANATE
Systematic Name English
PHENYLETHYL MUSTARD OIL
Common Name English
PHENETHYL ISOTHIOCYANATE [MI]
Common Name English
2-PHENETHYL ISOTHIOCYANATE
Systematic Name English
FEMA NO. 4014
Code English
BENZENE, (2-ISOTHIOCYANATOETHYL)-
Systematic Name English
NSC-87868
Code English
Classification Tree Code System Code
NCI_THESAURUS C45711
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
NCI_THESAURUS C54630
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
JECFA EVALUATION PHENETHYL ISOTHIOCYANATE
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
Code System Code Type Description
DRUG BANK
DB12695
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
CHEBI
351346
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
WIKIPEDIA
PHENETHYL ISOTHIOCYANATE
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
ECHA (EC/EINECS)
218-855-5
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID5021120
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
MESH
C058305
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
NCI_THESAURUS
C2233
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
NSC
87868
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
MERCK INDEX
m8610
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY Merck Index
JECFA MONOGRAPH
1554
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
FDA UNII
6U7TFK75KV
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
CAS
2257-09-2
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
PUBCHEM
16741
Created by admin on Fri Dec 15 15:30:39 UTC 2023 , Edited by admin on Fri Dec 15 15:30:39 UTC 2023
PRIMARY
NIH
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