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

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=CC=CC=C12

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 Sat Dec 16 16:06:28 GMT 2023
Edited
by admin
on Sat Dec 16 16:06:28 GMT 2023
Record UNII
BT3Q2384JX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Isothiocyanatomethyl)-1-methoxy-indole
Systematic Name English
1H-Indole, 3-(isothiocyanatomethyl)-1-methoxy-
Systematic Name English
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80557426
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
PRIMARY
FDA UNII
BT3Q2384JX
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
PRIMARY
PUBCHEM
14206111
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
PRIMARY
CAS
126769-93-5
Created by admin on Sat Dec 16 16:06:28 GMT 2023 , Edited by admin on Sat Dec 16 16:06:28 GMT 2023
PRIMARY