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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO2S2.ClH
Molecular Weight 279.807
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

Cl.COC(=O)C1=C(SSCCN)C=CC=C1

InChI

InChIKey=YTFUZAYIDRWVML-UHFFFAOYSA-N
InChI=1S/C10H13NO2S2.ClH/c1-13-10(12)8-4-2-3-5-9(8)15-14-7-6-11;/h2-5H,6-7,11H2,1H3;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 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 Sat Dec 16 19:27:53 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:53 GMT 2023
Record UNII
YU4JUE7NHY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
methyl 2-(2-aminoethyldisulfanyl)benzoate hydrochloride
Systematic Name English
Benzoic acid, o-[(2-aminoethyl)dithio]-, methyl ester, hydrochloride
Common Name English
Benzoic acid, 2-[(2-aminoethyl)dithio]-, methyl ester, hydrochloride (1:1)
Common Name English
Code System Code Type Description
CAS
1429-01-2
Created by admin on Sat Dec 16 19:27:54 GMT 2023 , Edited by admin on Sat Dec 16 19:27:54 GMT 2023
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FDA UNII
YU4JUE7NHY
Created by admin on Sat Dec 16 19:27:54 GMT 2023 , Edited by admin on Sat Dec 16 19:27:54 GMT 2023
PRIMARY
PUBCHEM
24199780
Created by admin on Sat Dec 16 19:27:54 GMT 2023 , Edited by admin on Sat Dec 16 19:27:54 GMT 2023
PRIMARY
NSC
342027
Created by admin on Sat Dec 16 19:27:54 GMT 2023 , Edited by admin on Sat Dec 16 19:27:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE