3-((Aminoiminomethyl)thio)-2-propenoic acid
Basic information
- CAS
103232-23-1- Standard SMILES
N=C(N)S/C=C/C(=O)O- InChIKey
QEYNZJBVNYDZKZ-OWOJBTEDSA-N- Molecular formula
- C4H6N2O2S
- Average molar mass
- 146.17 g/mol
- Monoisotopic mass
- 146.01499861
Overview
potent agonist at GABA-receptors; RN given refers to (Z)-isomer; RN for cpd without isomeric designation not available 3/89
Names & identifiers
- Preferred name
- 3-((Aminoiminomethyl)thio)-2-propenoic acid
- IUPAC
- (E)-3-carbamimidoylsulfanylprop-2-enoic acid
Names & synonyms
3-((Aminoiminomethyl)thio)-2-propenoic acid3-[(Aminoiminomethyl)thio]-2-propenoic acidRefChem:910844(E)-3-(Carbamimidoylthio)acrylic acid103232-23-12-Propenoic acid, 3-((aminoiminomethyl)thio)-, (E)-NSC-20311992138-10-8Z-3-(Amidinothio)propenoic acid3-carbamimidoylsulfanylprop-2-enoic acidNSC 203119G5X9K5PJE2
Show more names
SCHEMBL77028522-Propenoic acid, 3-((aminoiminomethyl)thio)-, (Z)-NSC203119AKOS0063488572-Propenoic acid, 3-[(aminoiminomethyl)thio]-3-Carbamimidoylsulfanylprop-2-enoic acid, (E)-
Database identifiers
- CAS
103232-23-1、92138-10-8- PubChem CID
- 5282249
- UNII
- G5X9K5PJE2
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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