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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10N2OS
Molecular Weight 218.275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(Isothiocyanatomethyl)-1-methoxy-indole

SMILES

CON1C=C(CN=C=S)C2=C1C=CC=C2

InChI

InChIKey=FLURSKCCKANNKS-UHFFFAOYSA-N
InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H10N2OS
Molecular Weight 218.275
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 Wed Apr 02 07:08:03 GMT 2025
Edited
by admin
on Wed Apr 02 07:08:03 GMT 2025
Record UNII
BT3Q2384JX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Indole, 3-(isothiocyanatomethyl)-1-methoxy-
Preferred Name English
3-(Isothiocyanatomethyl)-1-methoxy-indole
Systematic Name English
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80557426
Created by admin on Wed Apr 02 07:08:03 GMT 2025 , Edited by admin on Wed Apr 02 07:08:03 GMT 2025
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FDA UNII
BT3Q2384JX
Created by admin on Wed Apr 02 07:08:03 GMT 2025 , Edited by admin on Wed Apr 02 07:08:03 GMT 2025
PRIMARY
PUBCHEM
14206111
Created by admin on Wed Apr 02 07:08:03 GMT 2025 , Edited by admin on Wed Apr 02 07:08:03 GMT 2025
PRIMARY
CAS
126769-93-5
Created by admin on Wed Apr 02 07:08:03 GMT 2025 , Edited by admin on Wed Apr 02 07:08:03 GMT 2025
PRIMARY