Basic information
- CAS
41657-30-1- Standard SMILES
C=CCN(CC=C)P(=S)(N1CC1)N1CC1C- InChIKey
NRXJTPZGKPVJHU-UHFFFAOYSA-N- Molecular formula
- C11H20N3PS
- Average molar mass
- 257.34 g/mol
- Monoisotopic mass
- 257.11155582
Names & identifiers
- Preferred name
- P-Aziridin-1-yl-P-(2-methylaziridin-1-yl)-N,N-diprop-2-en-1-ylphosphinothioic amide
- IUPAC
- N-[aziridin-1-yl-(2-methylaziridin-1-yl)phosphinothioyl]-N-prop-2-enylprop-2-en-1-amine
- English name
- (1-Aziridinyl)(2-methyl-1-aziridinyl)(diallylamino)phosphine sulfide
- Molecular formula
- C11H20N3PS
- Molecular weight
- 257.34
Names & synonyms
41657-30-1DTXSID20961881p-aziridin-1-yl-p-(2-methylaziridin-1-yl)-n,n-diprop-2-en-1-ylphosphinothioic amideRefChem:1094159DTXCID001389697Phosphine sulfide, (1-aziridinyl)(2-methyl-1-aziridinyl)diallylamino-NSC 93108AI3-61570NSC93108(1-Aziridinyl)(2-methyl-1-aziridinyl)diallylaminophosphine sulfidePhosphinothioic amide, P-1-aziridinyl-P-(2-methyl-1-aziridinyl)-N,N-di-2-propenyl-CHEMBL3277084
Show more names
(1-Aziridinyl)(2-methyl-1-aziridinyl)(diallylamino)phosphine sulfidePhosphinothioic amide, P-1-aziridinyl-P-(2-methyl-1-aziridinyl)-N,N-di-2-propen-1-yl-
SCHEMBL21906294NSC-93108Phosphinothioic amide,N-di-2-propenyl-P-(Aziridin-1-yl)-P-(2-methylaziridin-1-yl)-N,N-di(prop-2-en-1-yl)phosphinothioic amide
Database identifiers
- CAS
41657-30-1- PubChem CID
- 96909
- DTXSID
DTXSID20961881- ChEMBL
CHEMBL3277084- Nikkaji
- J85.562F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 328 · 328.0±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 3.1 · 3.10±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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