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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8N2O2S
Molecular Weight 148.184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Amidinothio)propionic acid

SMILES

NC(=N)SCCC(O)=O

InChI

InChIKey=ICCLGNPZARKJKF-UHFFFAOYSA-N
InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)

HIDE SMILES / InChI

Molecular Formula C4H8N2O2S
Molecular Weight 148.184
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 08:04:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:37 GMT 2023
Record UNII
ELW4MN66TD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Amidinothio)propionic acid
Systematic Name English
β-Isothiureidopropionic acid
Systematic Name English
3-Isothioureidopropionic acid
Systematic Name English
3-[(Aminoiminomethyl)thio]propanoic acid
Systematic Name English
NSC-4453
Code English
Propanoic acid, 3-[(aminoiminomethyl)thio]-
Systematic Name English
Code System Code Type Description
CAS
5398-29-8
Created by admin on Sat Dec 16 08:04:37 GMT 2023 , Edited by admin on Sat Dec 16 08:04:37 GMT 2023
PRIMARY
NSC
4453
Created by admin on Sat Dec 16 08:04:37 GMT 2023 , Edited by admin on Sat Dec 16 08:04:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID30862451
Created by admin on Sat Dec 16 08:04:37 GMT 2023 , Edited by admin on Sat Dec 16 08:04:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-430-0
Created by admin on Sat Dec 16 08:04:37 GMT 2023 , Edited by admin on Sat Dec 16 08:04:37 GMT 2023
PRIMARY
PUBCHEM
79387
Created by admin on Sat Dec 16 08:04:37 GMT 2023 , Edited by admin on Sat Dec 16 08:04:37 GMT 2023
PRIMARY
FDA UNII
ELW4MN66TD
Created by admin on Sat Dec 16 08:04:37 GMT 2023 , Edited by admin on Sat Dec 16 08:04:37 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT