U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H9NS
Molecular Weight 235.304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-PHENANTHRYLISOTHIOCYANATE

SMILES

S=C=NC1=CC2=C(C=CC=C2)C3=CC=CC=C13

InChI

InChIKey=YVWFRWJMJDWYMO-UHFFFAOYSA-N
InChI=1S/C15H9NS/c17-10-16-15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H

HIDE SMILES / InChI

Molecular Formula C15H9NS
Molecular Weight 235.304
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 Mon Mar 31 19:15:12 GMT 2025
Edited
by admin
on Mon Mar 31 19:15:12 GMT 2025
Record UNII
I3JI95Z9S0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-PHENANTHRYLISOTHIOCYANATE
Systematic Name English
9-ISOTHIOCYANATOPHENANTHRENE
Preferred Name English
ISOTHIOCYANIC ACID, 9-PHENANTHRYL ESTER
Common Name English
PHENANTHRENE, 9-ISOTHIOCYANATO-
Common Name English
ISOTHIOCYANATOPHENANTHRENE, 9-
Systematic Name English
Code System Code Type Description
PUBCHEM
122989
Created by admin on Mon Mar 31 19:15:12 GMT 2025 , Edited by admin on Mon Mar 31 19:15:12 GMT 2025
PRIMARY
CAS
109340-63-8
Created by admin on Mon Mar 31 19:15:12 GMT 2025 , Edited by admin on Mon Mar 31 19:15:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID40148899
Created by admin on Mon Mar 31 19:15:12 GMT 2025 , Edited by admin on Mon Mar 31 19:15:12 GMT 2025
PRIMARY
FDA UNII
I3JI95Z9S0
Created by admin on Mon Mar 31 19:15:12 GMT 2025 , Edited by admin on Mon Mar 31 19:15:12 GMT 2025
PRIMARY