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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO2S2
Molecular Weight 243.346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of methyl 2-(2-aminoethyldisulfanyl)benzoate

SMILES

COC(=O)C1=CC=CC=C1SSCCN

InChI

InChIKey=KKNSKTSBAONNRP-UHFFFAOYSA-N
InChI=1S/C10H13NO2S2/c1-13-10(12)8-4-2-3-5-9(8)15-14-7-6-11/h2-5H,6-7,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H13NO2S2
Molecular Weight 243.346
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 19:34:47 GMT 2025
Edited
by admin
on Tue Apr 01 19:34:47 GMT 2025
Record UNII
NSD8RW42C5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 2-[(2-aminoethyl)dithio]-, methyl ester
Preferred Name English
methyl 2-(2-aminoethyldisulfanyl)benzoate
Systematic Name English
Methyl 2-[(2-aminoethyl)dithio]benzoate
Systematic Name English
Code System Code Type Description
FDA UNII
NSD8RW42C5
Created by admin on Tue Apr 01 19:34:47 GMT 2025 , Edited by admin on Tue Apr 01 19:34:47 GMT 2025
PRIMARY
PUBCHEM
434078
Created by admin on Tue Apr 01 19:34:47 GMT 2025 , Edited by admin on Tue Apr 01 19:34:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID20162215
Created by admin on Tue Apr 01 19:34:47 GMT 2025 , Edited by admin on Tue Apr 01 19:34:47 GMT 2025
PRIMARY
CAS
696574-86-4
Created by admin on Tue Apr 01 19:34:47 GMT 2025 , Edited by admin on Tue Apr 01 19:34:47 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT