ethyl 2-[(E)-(carbamothioylhydrazinylidene)methyl]hexanoate
Basic information
- CAS
84669-07-8- Standard SMILES
CCCCC(/C=N/NC(N)=S)C(=O)OCC- InChIKey
PURNANOGAJGIFY-KPKJPENVSA-N- Molecular formula
- C10H19N3O2S
- Average molar mass
- 245.34 g/mol
- Monoisotopic mass
- 245.11979803
Names & identifiers
- Preferred name
- ethyl 2-[(E)-(carbamothioylhydrazinylidene)methyl]hexanoate
- IUPAC
- ethyl 2-[(E)-(carbamothioylhydrazinylidene)methyl]hexanoate
Names & synonyms
NSC37356584669-07-8DTXSID50429868NSC-373565Ethyl 2-[(E)-(2-carbamothioylhydrazinylidene)methyl]hexanoate
Database identifiers
- CAS
84669-07-8- PubChem CID
- 9556325
- DTXSID
DTXSID50429868
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
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Related reactions
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Compound notes
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