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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N2S.ClH
Molecular Weight 216.731
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-benzyl-2-sulfanylethanimidamide hydrochloride

SMILES

Cl.SCC(=N)NCC1=CC=CC=C1

InChI

InChIKey=ZJQRKDLSXUIGPE-UHFFFAOYSA-N
InChI=1S/C9H12N2S.ClH/c10-9(7-12)11-6-8-4-2-1-3-5-8;/h1-5,12H,6-7H2,(H2,10,11);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 C9H12N2S
Molecular Weight 180.27
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 Wed Apr 02 17:31:46 GMT 2025
Edited
by admin
on Wed Apr 02 17:31:46 GMT 2025
Record UNII
S3XE9QY4NU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-benzyl-2-sulfanylethanimidamide hydrochloride
Systematic Name English
Acetamidine, N-benzyl-2-mercapto-, monohydrochloride
Preferred Name English
Ethanimidamide, 2-mercapto-N-(phenylmethyl)-, hydrochloride (1:1)
Systematic Name English
Ethanimidamide, 2-mercapto-N-(phenylmethyl)-, monohydrochloride
Systematic Name English
Code System Code Type Description
CAS
19412-56-7
Created by admin on Wed Apr 02 17:31:46 GMT 2025 , Edited by admin on Wed Apr 02 17:31:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID50173031
Created by admin on Wed Apr 02 17:31:46 GMT 2025 , Edited by admin on Wed Apr 02 17:31:46 GMT 2025
PRIMARY
PUBCHEM
24195698
Created by admin on Wed Apr 02 17:31:46 GMT 2025 , Edited by admin on Wed Apr 02 17:31:46 GMT 2025
PRIMARY
FDA UNII
S3XE9QY4NU
Created by admin on Wed Apr 02 17:31:46 GMT 2025 , Edited by admin on Wed Apr 02 17:31:46 GMT 2025
PRIMARY
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