3-(4-Methoxyphenyl)-3-oxopropyl pyrrolidine-1-carbodithioate
Basic information
- CAS
61998-17-2- Standard SMILES
COc1ccc(C(=O)CCSC(=S)N2CCCC2)cc1- InChIKey
YUTQGCICMYAGQK-UHFFFAOYSA-N- Molecular formula
- C15H19NO2S2
- Average molar mass
- 309.5 g/mol
- Monoisotopic mass
- 309.0857212
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-3-oxopropyl pyrrolidine-1-carbodithioate
- IUPAC
- [3-(4-methoxyphenyl)-3-oxopropyl] pyrrolidine-1-carbodithioate
Names & synonyms
61998-17-2SCHEMBL11608511DTXSID807119803-(4-Methoxyphenyl)-3-oxopropyl pyrrolidine-1-carbodithioate
Database identifiers
- CAS
61998-17-2- PubChem CID
- 54528409
- DTXSID
DTXSID80711980
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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