(2Z)-2-(carbamothioylhydrazono)propanoic acid
Basic information
- CAS
10418-09-4- Standard SMILES
C/C(=N/NC(N)=S)C(=O)O- InChIKey
KQAYLOOXVDSLRI-KXFIGUGUSA-N- Molecular formula
- C4H7N3O2S
- Average molar mass
- 161.19 g/mol
- Monoisotopic mass
- 161.02589765
Names & identifiers
- Preferred name
- (2Z)-2-(carbamothioylhydrazono)propanoic acid
- IUPAC
- (2Z)-2-(carbamothioylhydrazinylidene)propanoic acid
Names & synonyms
10418-09-4SCHEMBL2024987NSC73234(2Z)-2-(carbamothioylhydrazono)propanoic acid3-[(Aminothioxomethyl)amino]-3-aza-2-methylprop-2-enoic acid
Database identifiers
- CAS
10418-09-4- PubChem CID
- 5484348
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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