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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H13NS2.ClH
Molecular Weight 235.797
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-methylphenyl)disulfanylethanamine hydrochloride

SMILES

Cl.CC1=CC=C(SSCCN)C=C1

InChI

InChIKey=IIEYIXOUJDDIFG-UHFFFAOYSA-N
InChI=1S/C9H13NS2.ClH/c1-8-2-4-9(5-3-8)12-11-7-6-10;/h2-5H,6-7,10H2,1H3;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 C9H13NS2
Molecular Weight 199.336
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 19:27:07 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:07 GMT 2023
Record UNII
WA2GD3J4QH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-methylphenyl)disulfanylethanamine hydrochloride
Systematic Name English
1-[(2-aminoethyl)disulfanyl]-4-methylbenzene hydrochloride
Systematic Name English
Ethanamine, 2-[(4-methylphenyl)dithio]-, hydrochloride
Systematic Name English
NSC-342007
Code English
Ethanamine, 2-[(4-methylphenyl)dithio]-, hydrochloride (1:1)
Systematic Name English
Ethylamine, 2-(p-tolyldithio)-, hydrochloride
Common Name English
Code System Code Type Description
FDA UNII
WA2GD3J4QH
Created by admin on Sat Dec 16 19:27:08 GMT 2023 , Edited by admin on Sat Dec 16 19:27:08 GMT 2023
PRIMARY
PUBCHEM
24199775
Created by admin on Sat Dec 16 19:27:08 GMT 2023 , Edited by admin on Sat Dec 16 19:27:08 GMT 2023
PRIMARY
CAS
13686-71-0
Created by admin on Sat Dec 16 19:27:08 GMT 2023 , Edited by admin on Sat Dec 16 19:27:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID80159984
Created by admin on Sat Dec 16 19:27:08 GMT 2023 , Edited by admin on Sat Dec 16 19:27:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE