1,1-Dimethylethyl 3-[[[1-(dimethylamino)ethylidene]amino]thioxomethyl]-1-pyrrolidinecarboxylate
Basic information
- CAS
122684-36-0- Standard SMILES
CC(=NC(=S)C1CCN(C(=O)OC(C)(C)C)C1)N(C)C- InChIKey
ZNNALSCDHSTBLM-UHFFFAOYSA-N- Molecular formula
- C14H25N3O2S
- Average molar mass
- 299.43 g/mol
- Monoisotopic mass
- 299.16674822
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 3-[[[1-(dimethylamino)ethylidene]amino]thioxomethyl]-1-pyrrolidinecarboxylate
- IUPAC
- tert-butyl 3-[1-(dimethylamino)ethylidenecarbamothioyl]pyrrolidine-1-carboxylate
Names & synonyms
DTXSID7011174591,1-Dimethylethyl 3-[[[1-(dimethylamino)ethylidene]amino]thioxomethyl]-1-pyrrolidinecarboxylate122684-36-0tert-Butyl 3-{[1-(dimethylamino)ethylidene]carbamothioyl}pyrrolidine-1-carboxylate
Database identifiers
- CAS
122684-36-0- PubChem CID
- 14763512
- DTXSID
DTXSID701117459
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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