Basic information
- CAS
20709-39-1- Standard SMILES
NCCCNCCCSP(=O)(O)O- InChIKey
FVJTYCJHQHSYGS-UHFFFAOYSA-N- Molecular formula
- C6H17N2O3PS
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.06975058
Names & identifiers
- Preferred name
- S-2-(3-aminopropylamino)propylphosphorothioate
- IUPAC
- 3-(3-aminopropylamino)propylsulfanylphosphonic acid
- English name
- S-2-(3-aminopropylamino)propylphosphorothioate
- Molecular formula
- C6H17N2O3PS
- Molecular weight
- 228.25
Names & synonyms
20709-39-1S-2-(3-AMINOPROPYLAMINO)PROPYLPHOSPHOROTHIOATEDTXSID90174764S-(3-((3-Aminopropyl)amino)propyl) dihydrogen phosphorothioates-{3-[(3-aminopropyl)amino]propyl} dihydrogen phosphorothioate1-Propanethiol, 3-((3-aminopropyl)amino)-, dihydrogen phosphate (ester)S-[3-[(3-Aminopropyl)amino]propyl] dihydrogen phosphorothioate1-Propanethiol, 3-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester)RefChem:180597DTXCID4097255S-2-(3-Aminopropylamino)propyl phosphorothioic acid3-(3-aminopropylamino)propylsulfanylphosphonic acid
Show more names
Phosphorothioic acid dihydrogen S-[3-[(3-aminopropyl)amino]propyl] ester1-Propanethiol, 3-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester) (9CI)
NSC-335661WR-44923Phosphorothioic acid, S-[3-[(3-aminopropyl)amino]propyl] esterNSC 335661BRN 2092314WR 44923S-omega-(3-Aminopropylamino)propyl dihydrogen phosphorothioate1-Propanethiol, 3-((3-aminopropyl)amino)-, dihydrogen phosphate
Database identifiers
- CAS
20709-39-1- PubChem CID
- 88660
- DTXSID
DTXSID90174764- UNII
- 5PN7998CE4
- Nikkaji
- J53.822A
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- FDA UNII
- 5 PN7998CE4 · 5PN7998CE4
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…