Chemical Properties of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide (CAS 3196-56-3)

4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide

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InChI
InChI=1S/C5H9O3PS/c1-5-2-6-9(10,7-3-5)8-4-5/h2-4H2,1H3
InChI Key
OKSHJMXSMVSYAW-UHFFFAOYSA-N
Formula
C5H9O3PS
SMILES
CC12COP(=S)(OC1)OC2
Molecular Weight1
180.16
CAS
3196-56-3
Other Names
  • 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulphide
  • Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol
  • 2-(Hydroxymethyl)-2-methyl-1,3-propanediol, cyclic phosphorothioate (1:1)
  • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl, cyclic phosphorothioate (1:1)
  • 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-methyl-, 1-sulfide
  • 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, cyclic O,O,O-ester with phosphorothioic acid
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Physical Properties

Property Value Unit Source
log10WS 3.02 Crippen Calculated Property
logPoct/wat 1.294 Crippen Calculated Property
McVol 114.010 ml/mol McGowan Calculated Property

Similar Compounds

1,3-Propanediol, 2,2-dimethyl-, bis(cyclic 2,2-dimethyltrimethylene phosphorothionate. 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane. 1,3-Propanediol, 2,2-dimethyl-, bis(cyclic 2,2-dimethyltrimethylene phosphite). 1,3-Propanediol, 2,2-dimethyl-, cyclic hydrogen phosphate. 1,3-Propanediol, 2,2-dimethyl-, cyclic 2,2-dichloro-vinyl phosphonate. Trimethylolpropane phosphite. 1,3-Propanediol,2,2-dimethyl-, bis(diethylphosphate). 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane, 2-sulfide. 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane. 1,3-Propanediol, 2,2-dimethyl-, cyclic phosphorochloridate. 4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide. 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide. Pentaerythritol, bis(cyclic decyl phosphite). Pentaerythritol, bis(cyclic hexadecyl phosphite). Phosphorous acid, tris(2,2-dimethylpentyl) ester.

Find more compounds similar to 4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide.

Sources

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