1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine
Basic information
- CAS
141930-88-3- Standard SMILES
O=[N+]([O-])c1ccc(SP(=O)(N2CCCC2)N2CCCC2)cc1- InChIKey
LQZMKXPIMXSELT-UHFFFAOYSA-N- Molecular formula
- C14H20N3O3PS
- Average molar mass
- 341.37 g/mol
- Monoisotopic mass
- 341.09629968
Names & identifiers
- Preferred name
- 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine
- IUPAC
- 1-[(4-nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl]pyrrolidine
Names & synonyms
1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine141930-88-3DTXSID90161876S-(4-Nitrophenyl) di(pyrrolidin-1-yl)phosphinothioate
Database identifiers
- CAS
141930-88-3- PubChem CID
- 178597
- DTXSID
DTXSID90161876
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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