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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11NS
Molecular Weight 249.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-PHENANTHRYLMETHYL ISOTHIOCYANATE

SMILES

S=C=NCC1=CC2=CC=CC=C2C3=C1C=CC=C3

InChI

InChIKey=PPXLSNLFTUJTLD-UHFFFAOYSA-N
InChI=1S/C16H11NS/c18-11-17-10-13-9-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-9H,10H2

HIDE SMILES / InChI

Molecular Formula C16H11NS
Molecular Weight 249.33
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 Fri Dec 15 17:47:25 GMT 2023
Edited
by admin
on Fri Dec 15 17:47:25 GMT 2023
Record UNII
567W4T82H2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-PHENANTHRYLMETHYL ISOTHIOCYANATE
Systematic Name English
PHENANTHRENE, 9-(ISOTHIOCYANATOMETHYL)-
Systematic Name English
9-(ISOTHIOCYANATOMETHYL)PHENANTHRENE
Systematic Name English
ISOTHIOCYANATOMETHYL)PHENANTHRENE, 9-(
Common Name English
Code System Code Type Description
CAS
17660-77-4
Created by admin on Fri Dec 15 17:47:25 GMT 2023 , Edited by admin on Fri Dec 15 17:47:25 GMT 2023
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FDA UNII
567W4T82H2
Created by admin on Fri Dec 15 17:47:25 GMT 2023 , Edited by admin on Fri Dec 15 17:47:25 GMT 2023
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EPA CompTox
DTXSID30170164
Created by admin on Fri Dec 15 17:47:25 GMT 2023 , Edited by admin on Fri Dec 15 17:47:25 GMT 2023
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PUBCHEM
155595
Created by admin on Fri Dec 15 17:47:25 GMT 2023 , Edited by admin on Fri Dec 15 17:47:25 GMT 2023
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