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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H15NS.ClH
Molecular Weight 265.802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-(Benzylthio)ethyl)pyridine hydrochloride

SMILES

Cl.C(CC1=CC=NC=C1)SCC2=CC=CC=C2

InChI

InChIKey=CTBDXUUHBWDLGJ-UHFFFAOYSA-N
InChI=1S/C14H15NS.ClH/c1-2-4-14(5-3-1)12-16-11-8-13-6-9-15-10-7-13;/h1-7,9-10H,8,11-12H2;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H15NS
Molecular Weight 229.341
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:02:58 GMT 2025
Edited
by admin
on Tue Apr 01 20:02:58 GMT 2025
Record UNII
VR3RHW2YRK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-20207
Preferred Name English
4-(2-(Benzylthio)ethyl)pyridine hydrochloride
Systematic Name English
Pyridine, 4-[2-[(phenylmethyl)thio]ethyl]-, hydrochloride
Systematic Name English
Pyridine, 4-[2-(benzylthio)ethyl]-, hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
VR3RHW2YRK
Created by admin on Tue Apr 01 20:02:58 GMT 2025 , Edited by admin on Tue Apr 01 20:02:58 GMT 2025
PRIMARY
NSC
20207
Created by admin on Tue Apr 01 20:02:58 GMT 2025 , Edited by admin on Tue Apr 01 20:02:58 GMT 2025
PRIMARY
CAS
21181-91-9
Created by admin on Tue Apr 01 20:02:58 GMT 2025 , Edited by admin on Tue Apr 01 20:02:58 GMT 2025
PRIMARY
PUBCHEM
210229
Created by admin on Tue Apr 01 20:02:58 GMT 2025 , Edited by admin on Tue Apr 01 20:02:58 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE