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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

Molecular Formula C4H6N2O2S
Molecular Weight 146.168
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
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 19:53:07 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:07 GMT 2023
Record UNII
NZ5KC8WB24
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Carbamimidoylsulfanylprop-2-enoic acid, (E) hydrobromide
Systematic Name English
2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, monohydrobromide
Systematic Name English
2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, hydrobromide (1:1)
Systematic Name English
Code System Code Type Description
CAS
42027-13-4
Created by admin on Sat Dec 16 19:53:07 GMT 2023 , Edited by admin on Sat Dec 16 19:53:07 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
NZ5KC8WB24
Created by admin on Sat Dec 16 19:53:07 GMT 2023 , Edited by admin on Sat Dec 16 19:53:07 GMT 2023
PRIMARY
PUBCHEM
167713305
Created by admin on Sat Dec 16 19:53:07 GMT 2023 , Edited by admin on Sat Dec 16 19:53:07 GMT 2023
PRIMARY
Related Record Type Details
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