Chemical Properties of Phosphorothioic acid, S-2,3-diaminopropyl ester (CAS 78219-00-8)

Phosphorothioic acid, S-2,3-diaminopropyl ester

InChI
InChI=1S/C3H11N2O3PS/c4-1-3(5)2-10-9(6,7)8/h3H,1-2,4-5H2,(H2,6,7,8)
InChI Key
TXLJMOJYKYDULH-UHFFFAOYSA-N
Formula
C3H11N2O3PS
SMILES
NCC(N)CSP(=O)(O)O
Molecular Weight1
186.17
CAS
78219-00-8
Other Names
  • S-2,3-Diaminopropyl dihydrogen phosphorothioate
  • Propylthiophosphonic acid, 2,3-diamino-
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Physical Properties

Property Value Unit Source
ω 0.8709 Relay (1.0) Calculated Property
ΔfG° -307.01 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -601.30 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 104.52 kJ/mol Relay (1.0) Calculated Property
IE 9.57 eV Relay (1.0) Calculated Property
log10WS 0.67 Relay (1.0) Calculated Property
logPoct/wat -0.902 Crippen Calculated Property
McVol 127.510 ml/mol McGowan Calculated Property
Pc 3602.25 kPa Relay (1.0-beta) Calculated Property
Tboil 598.51 K Relay (1.0) Calculated Property
Tc 857.79 K Relay (1.0) Calculated Property
Tfus 330.35 K Relay (1.0) Calculated Property
Vc 0.433 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Phosphorothioic acid, s-ester with n-[4-[(3-hydroxypropyl)amino]butyl]phthalimide. Warfarin, tert-butyldimethylsilyl ether. guanine. Biotin, N,N'-tert-butyldimethylsilyl-, tert-butyldimethylsilyl ester. Sterigmatocystin, O-tert.-butyldimethylsilyl-. Tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Methotrexate. (-)-Bunolol, PFB-TMS. Sterigmatocystin, trimethylsilyl ether. Aflatoxin G1. Cobalt,bis[(1,2,3,4,5,6-«eta»)-1-phenylboratabenzene]-. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-HO-) 2AC. Cytosine arabinoside, methyl-TMS derivative. Lincomycin.

Find more compounds similar to Phosphorothioic acid, S-2,3-diaminopropyl ester.

Sources

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