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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20N2O3S.ClH
Molecular Weight 332.846
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-[[(aminoiminomethyl)thio]methyl]-4-propoxybenzeneacetate hydrochloride

SMILES

Cl.CCCOC1=CC=C(CC(=O)OC)C=C1CSC(N)=N

InChI

InChIKey=AJRODWWJXBNZOA-UHFFFAOYSA-N
InChI=1S/C14H20N2O3S.ClH/c1-3-6-19-12-5-4-10(8-13(17)18-2)7-11(12)9-20-14(15)16;/h4-5,7H,3,6,8-9H2,1-2H3,(H3,15,16);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 C14H20N2O3S
Molecular Weight 296.385
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 Mon Mar 31 18:41:27 GMT 2025
Edited
by admin
on Mon Mar 31 18:41:27 GMT 2025
Record UNII
TJJ5YFH4US
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3-[[(aminoiminomethyl)thio]methyl]-4-propoxybenzeneacetate hydrochloride
Systematic Name English
Benzeneacetic acid, 3-[[(aminoiminomethyl)thio]methyl]-4-propoxy-, methyl ester, hydrochloride (1:1)
Preferred Name English
Benzeneacetic acid, 3-[[(aminoiminomethyl)thio]methyl]-4-propoxy-, methyl ester, monohydrochloride
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40962214
Created by admin on Mon Mar 31 18:41:27 GMT 2025 , Edited by admin on Mon Mar 31 18:41:27 GMT 2025
PRIMARY
FDA UNII
TJJ5YFH4US
Created by admin on Mon Mar 31 18:41:27 GMT 2025 , Edited by admin on Mon Mar 31 18:41:27 GMT 2025
PRIMARY
PUBCHEM
39107
Created by admin on Mon Mar 31 18:41:27 GMT 2025 , Edited by admin on Mon Mar 31 18:41:27 GMT 2025
PRIMARY
CAS
42024-63-5
Created by admin on Mon Mar 31 18:41:27 GMT 2025 , Edited by admin on Mon Mar 31 18:41:27 GMT 2025
PRIMARY
Related Record Type Details
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