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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H11NS
Molecular Weight 285.362
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-CHRYSENYLISOTHIOCYANATE

SMILES

S=C=NC1=CC2=C(C=CC3=CC=CC=C23)C4=C1C=CC=C4

InChI

InChIKey=CIAHPHFXCYGAPB-UHFFFAOYSA-N
InChI=1S/C19H11NS/c21-12-20-19-11-18-14-6-2-1-5-13(14)9-10-16(18)15-7-3-4-8-17(15)19/h1-11H

HIDE SMILES / InChI

Molecular Formula C19H11NS
Molecular Weight 285.362
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
YHH2L1HH7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ISOTHIOCYANATOCHRYSENE
Preferred Name English
6-CHRYSENYLISOTHIOCYANATE
Systematic Name English
CHRYSENE, 6-ISOTHIOCYANATO-
Systematic Name English
ISOTHIOCYANATOCHRYSENE, 6-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00241310
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
94255-53-5
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
PUBCHEM
151989
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
YHH2L1HH7P
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