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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6N2S
Molecular Weight 150.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(ISOTHIOCYANATOMETHYL)PYRIDINE

SMILES

S=C=NCC1=CC=CN=C1

InChI

InChIKey=BDSYDRBQHFQOQG-UHFFFAOYSA-N
InChI=1S/C7H6N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C7H6N2S
Molecular Weight 150.201
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 12:02:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:48 GMT 2023
Record UNII
A1PWS1V11M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(ISOTHIOCYANATOMETHYL)PYRIDINE
Systematic Name English
3-PICOLYLISOTHIOCYANATE
Common Name English
PYRIDINE, 3-(ISOTHIOCYANATOMETHYL)-
Systematic Name English
3-PICOLYL ISOTHIOCYANATE HYDROBROMIDE
Systematic Name English
3-PYRIDYLMETHYL ISOTHIOCYANATE
Systematic Name English
Code System Code Type Description
PUBCHEM
2760420
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
CAS
36810-90-9
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-225-3
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
FDA UNII
A1PWS1V11M
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID50190288
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY