Phosphinothioic amide, P,P-bis(1-aziridinyl)-N-[2-(benzylthio)ethyl]-
Basic information
- CAS
21466-86-4- Standard SMILES
S=P(NCCSCc1ccccc1)(N1CC1)N1CC1- InChIKey
RBRVAAUUJAWXMM-UHFFFAOYSA-N- Molecular formula
- C13H20N3PS2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.083627
Names & identifiers
- Preferred name
- Phosphinothioic amide, P,P-bis(1-aziridinyl)-N-[2-(benzylthio)ethyl]-
- IUPAC
- 2-benzylsulfanyl-N-[bis(aziridin-1-yl)phosphinothioyl]ethanamine
Names & synonyms
MLS00269398521466-86-4NSC76404p,p-bis(aziridin-1-yl)-n-[2-(benzylsulfanyl)ethyl]phosphinothioic amideNCIOpen2_008430CHEMBL1898841DTXSID70944068HMS3094K05NSC-76404Phosphinothioic amide, P,P-bis(1-aziridinyl)-N-[2-(benzylthio)ethyl]-SMR001559920Phosphinothioic amide,P-bis(1-aziridinyl)-N-[2-(benzylthio)ethyl]-
Show more names
P,P-Bis[(aziridin-1-yl)]-N-[2-(benzylsulfanyl)ethyl]phosphinothioic amide
Database identifiers
- CAS
21466-86-4- PubChem CID
- 253452
- DTXSID
DTXSID70944068- ChEMBL
CHEMBL1898841
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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