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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO2S2.ClH
Molecular Weight 265.78
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-aminoethyldisulfanyl)benzoic acid hydrochloride

SMILES

Cl.NCCSSC1=C(C=CC=C1)C(O)=O

InChI

InChIKey=VLOOFEQKSUXWBQ-UHFFFAOYSA-N
InChI=1S/C9H11NO2S2.ClH/c10-5-6-13-14-8-4-2-1-3-7(8)9(11)12;/h1-4H,5-6,10H2,(H,11,12);1H

HIDE SMILES / InChI

Molecular Formula C9H11NO2S2
Molecular Weight 229.319
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:14:42 GMT 2023
Edited
by admin
on Sat Dec 16 19:14:42 GMT 2023
Record UNII
355TYX9HWN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-aminoethyldisulfanyl)benzoic acid hydrochloride
Systematic Name English
Benzoic acid, 2-[(2-aminoethyl)dithio]-, hydrochloride (1:1)
Systematic Name English
Benzoic acid, o-[(2-aminoethyl)dithio]-, hydrochloride
Systematic Name English
NSC-342011
Code English
Code System Code Type Description
FDA UNII
355TYX9HWN
Created by admin on Sat Dec 16 19:14:42 GMT 2023 , Edited by admin on Sat Dec 16 19:14:42 GMT 2023
PRIMARY
PUBCHEM
24199777
Created by admin on Sat Dec 16 19:14:42 GMT 2023 , Edited by admin on Sat Dec 16 19:14:42 GMT 2023
PRIMARY
NSC
342011
Created by admin on Sat Dec 16 19:14:42 GMT 2023 , Edited by admin on Sat Dec 16 19:14:42 GMT 2023
PRIMARY
CAS
1204-53-1
Created by admin on Sat Dec 16 19:14:42 GMT 2023 , Edited by admin on Sat Dec 16 19:14:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID60923382
Created by admin on Sat Dec 16 19:14:42 GMT 2023 , Edited by admin on Sat Dec 16 19:14:42 GMT 2023
PRIMARY