Basic information
- CAS
61432-51-7- Standard SMILES
CC(C)(SC(=O)N1CCCC1)c1ccccc1- InChIKey
MCDYGDVYLQGBFS-UHFFFAOYSA-N- Molecular formula
- C14H19NOS
- Average molar mass
- 249.37 g/mol
- Monoisotopic mass
- 249.1187354
Names & identifiers
- Preferred name
- S-(2-Phenylpropan-2-yl) pyrrolidine-1-carbothioate
- IUPAC
- S-(2-phenylpropan-2-yl) pyrrolidine-1-carbothioate
Names & synonyms
S-(2-Phenylpropan-2-yl) pyrrolidine-1-carbothioate61432-51-7SCHEMBL11221785DTXSID20574657
Database identifiers
- CAS
61432-51-7- PubChem CID
- 15574591
- DTXSID
DTXSID20574657
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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