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Details

Stereochemistry ACHIRAL
Molecular Formula C4H6N2O2S.BrH
Molecular Weight 227.08
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Carbamimidoylsulfanylprop-2-enoic acid, (E) hydrobromide

SMILES

Br.NC(=N)S\C=C\C(O)=O

InChI

InChIKey=DUYOALCKVWZLNY-TYYBGVCCSA-N
InChI=1S/C4H6N2O2S.BrH/c5-4(6)9-2-1-3(7)8;/h1-2H,(H3,5,6)(H,7,8);1H/b2-1+;

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Carbamimidoylsulfanylprop-2-enoic acid, (E) hydrobromide
Systematic Name English
2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, hydrobromide (1:1)
Preferred Name English
2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, monohydrobromide
Systematic Name English
Code System Code Type Description
CAS
42027-13-4
Created by admin on Wed Apr 02 17:32:35 GMT 2025 , Edited by admin on Wed Apr 02 17:32:35 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
NZ5KC8WB24
Created by admin on Wed Apr 02 17:32:35 GMT 2025 , Edited by admin on Wed Apr 02 17:32:35 GMT 2025
PRIMARY
PUBCHEM
167713305
Created by admin on Wed Apr 02 17:32:35 GMT 2025 , Edited by admin on Wed Apr 02 17:32:35 GMT 2025
PRIMARY