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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N2S
Molecular Weight 192.281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-Isothiocyanatobutyl)pyridine

SMILES

S=C=NCCCCC1=CC=CN=C1

InChI

InChIKey=JAXGAWNOAHDBJF-UHFFFAOYSA-N
InChI=1S/C10H12N2S/c13-9-12-6-2-1-4-10-5-3-7-11-8-10/h3,5,7-8H,1-2,4,6H2

HIDE SMILES / InChI

Molecular Formula C10H12N2S
Molecular Weight 192.281
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 19:15:20 GMT 2023
Edited
by admin
on Fri Dec 15 19:15:20 GMT 2023
Record UNII
AW9EN3LL8X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-Isothiocyanatobutyl)pyridine
Systematic Name English
Pyridine, 3-(4-isothiocyanatobutyl)-
Systematic Name English
Pyridyl)butyl isothiocyanate, 4-(3-
Common Name English
Code System Code Type Description
PUBCHEM
3025719
Created by admin on Fri Dec 15 19:15:21 GMT 2023 , Edited by admin on Fri Dec 15 19:15:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID30158422
Created by admin on Fri Dec 15 19:15:21 GMT 2023 , Edited by admin on Fri Dec 15 19:15:21 GMT 2023
PRIMARY
CAS
133920-07-7
Created by admin on Fri Dec 15 19:15:21 GMT 2023 , Edited by admin on Fri Dec 15 19:15:21 GMT 2023
PRIMARY
FDA UNII
AW9EN3LL8X
Created by admin on Fri Dec 15 19:15:21 GMT 2023 , Edited by admin on Fri Dec 15 19:15:21 GMT 2023
PRIMARY