chempirical

Amifostine

C5H15N2O3PSCAS 20537-88-6214.22 g/mol

Open in Covalent MOL file
H2NNHSPOOHOH
Primary amineSecondary amine

Properties

Molecular formula
C5H15N2O3PS
Molar mass
214.22 g/mol
Exact mass
214.0541 Da
Melting point
160–161 °C
Water solubility
freely soluble
logP
-0.25Crippen estimate
Polar surface area
95.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
20537-88-6
SMILES
NCCCNCCSP(=O)(O)O
InChIKey
JKOQGQFVAUAYPM-UHFFFAOYSA-N
InChI
InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Ethanethiol, 2-[(3-aminopropyl)amino]-, 1-(dihydrogen phosphate)
  • Phosphorothioic acid, S-[2-[(3-aminopropyl)amino]ethyl] ester
  • Ethanethiol, 2-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester)
  • WR 2721C
  • WR 2721
  • S-[N-(3-Aminopropyl)-2-aminoethyl] dihydrogen thiophosphate
  • Gammaphos
  • Aminopropylaminoethyl thiophosphate
  • S-[2-(3-Aminopropylamino)ethyl] phosphorothioate
  • S-[2-[(3-Aminopropyl)amino]ethyl] dihydrogen phosphorothioate
  • YM 08310
  • 2-(3-Aminopropylamino)ethyl thiophosphate
  • Ethiofos
  • NSC 296961
  • Ethyol
  • S 8744
  • SAPEP
  • ([2-[(3-Aminopropyl)amino]ethyl]sulfanyl)phosphonic acid

Work with Amifostine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-(3-Aminopropylamino)ethylsulfanylphosphonic acid trihydrate112901-68-5Hydrate

Similar compounds

Spermidine phosphate49721-50-858 % similar Norspermidine56-18-846 % similar N,N′-Bis(3-aminopropyl)ethylenediamine10563-26-545 % similar Norspermine4605-14-545 % similar Spermine71-44-345 % similar Spermidine124-20-943 % similar 3-(Aminopropyl)ethylenediamine13531-52-743 % similar N-(2-Hydroxyethyl)-1,3-propanediamine4461-39-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook