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Details

Stereochemistry ACHIRAL
Molecular Formula C21H11NS
Molecular Weight 309.384
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-BENZO(A)PYRENYLISOTHIOCYANATE

SMILES

S=C=NC1=C2C=CC=CC2=C3C=CC4=C5C(C=CC1=C35)=CC=C4

InChI

InChIKey=ZAZCYCBTCXZZQX-UHFFFAOYSA-N
InChI=1S/C21H11NS/c23-12-22-21-17-7-2-1-6-15(17)16-10-8-13-4-3-5-14-9-11-18(21)20(16)19(13)14/h1-11H

HIDE SMILES / InChI

Molecular Formula C21H11NS
Molecular Weight 309.384
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 19:30:22 GMT 2025
Edited
by admin
on Mon Mar 31 19:30:22 GMT 2025
Record UNII
SHJ3H8PGF4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(A)PYRENE, 6-ISOTHIOCYANATO-
Preferred Name English
6-BENZO(A)PYRENYLISOTHIOCYANATE
Systematic Name English
ISOTHIOCYANATOBENZO(A)PYRENE, 6-
Systematic Name English
6-ISOTHIOCYANATOBENZO(A)PYRENE
Systematic Name English
Code System Code Type Description
FDA UNII
SHJ3H8PGF4
Created by admin on Mon Mar 31 19:30:22 GMT 2025 , Edited by admin on Mon Mar 31 19:30:22 GMT 2025
PRIMARY
CAS
152832-13-8
Created by admin on Mon Mar 31 19:30:22 GMT 2025 , Edited by admin on Mon Mar 31 19:30:22 GMT 2025
PRIMARY
PUBCHEM
154659
Created by admin on Mon Mar 31 19:30:22 GMT 2025 , Edited by admin on Mon Mar 31 19:30:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID30165136
Created by admin on Mon Mar 31 19:30:22 GMT 2025 , Edited by admin on Mon Mar 31 19:30:22 GMT 2025
PRIMARY