Basic information
- CAS
4301-56-8- Standard SMILES
S=P(N1CCCC1)(N1CC1)N1CC1- InChIKey
DDYAFCWSLZNSFO-UHFFFAOYSA-N- Molecular formula
- C8H16N3PS
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.08025569
Names & identifiers
- Preferred name
- 1-[Bis(aziridin-1-yl)phosphorothioyl]pyrrolidine
- IUPAC
- bis(aziridin-1-yl)-pyrrolidin-1-yl-sulfanylidene-λ5-phosphane
Names & synonyms
4301-56-81-[bis(aziridin-1-yl)phosphorothioyl]pyrrolidineNSC55740Pyrrolidine, 1-(di-1-aziridinylphosphinothioyl)CHEMBL1966906DTXSID50288396NSC-55740NCI60_004365Phosphine sulfide, bis(1-aziridinyl)(1-pyrrolidinyl)-
Database identifiers
- CAS
4301-56-8- PubChem CID
- 244656
- DTXSID
DTXSID50288396- ChEMBL
CHEMBL1966906
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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