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Details

Stereochemistry ACHIRAL
Molecular Formula C4H6N2O2S.ClH
Molecular Weight 182.629
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=ZAJCBMCNQJOAME-TYYBGVCCSA-N
InChI=1S/C4H6N2O2S.ClH/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 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 C4H6N2O2S
Molecular Weight 146.168
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:49:03 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:03 GMT 2023
Record UNII
ML5UZH7VXL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Carbamimidoylsulfanylprop-2-enoic acid hydrochloride, (E)-
Systematic Name English
2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, hydrochloride (1:1)
Systematic Name English
Pseudourea, 2-(2-carboxyvinyl)-2-thio-, monohydrochloride
Systematic Name English
2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, monohydrochloride, (2E)-
Systematic Name English
2-Propenoic acid, 3-[(aminoiminomethyl)thio]-, monohydrochloride
Systematic Name English
Acrylic acid, 3-(amidinothio)-, hydrochloride
Common Name English
Code System Code Type Description
CAS
24331-10-0
Created by admin on Sat Dec 16 19:49:03 GMT 2023 , Edited by admin on Sat Dec 16 19:49:03 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
78594-85-1
Created by admin on Sat Dec 16 19:49:03 GMT 2023 , Edited by admin on Sat Dec 16 19:49:03 GMT 2023
PRIMARY
FDA UNII
ML5UZH7VXL
Created by admin on Sat Dec 16 19:49:03 GMT 2023 , Edited by admin on Sat Dec 16 19:49:03 GMT 2023
PRIMARY
PUBCHEM
154727273
Created by admin on Sat Dec 16 19:49:03 GMT 2023 , Edited by admin on Sat Dec 16 19:49:03 GMT 2023
PRIMARY
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