Phosphorofluoridothioic acid, O,O-diisopropyl ester

Formula:C6H14O2FPS CAS:1000-22-2 ChemrytIQ

PropertyValue
Casrn1000-22-2
MolNamePhosphorofluoridothioic acid, O,O-diisopropyl ester
MolecularFormulaC6H14O2FPS
SmilesCC(C)OP(OC(C)C)(F)=S
InChIInChI=1S/C6H14FO2PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3
InChIKLLMZKGWACKHBEI-UHFFFAOYSA-N
CanonicalSyTyLFyd74da70ffc18d65a
TotalMolweight200.213
Molweight200.213
MonoisotopicMass200.043615
CLogP3.458
CLogS-2.155
H Acceptors2
TotalSurfaceArea152.62
Relative PSA0.34058
PolarSurfaceArea60.36
Druglikeness-11.052
Mutageniclow
Tumorigenichigh
Reproductive Effectivelow
Irritantlow
Nasty Functionsacyl-halogenide type
Shape Index0.63636
Molecula Flexibility0.70316
Molecular Complexity0.46052
Fragments1
Non HAtoms11
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Sp3Atoms10
Symmetricatoms5
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-71-0nonenonenoneC7H9N107.155-2.2725 ChemrytIQ
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1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449 ChemrytIQ
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100-89-0nonenonelowC18H36O6B2370.1-16.157 ChemrytIQ
100-11-8lowhighnoneC7H6NO2Br216.034-13.162 ChemrytIQ
100011-01-6nonenonenoneC9H18O2158.24-2.3462 ChemrytIQ
1000269-66-8nonenonenoneC12H20N4220.3190.5423 ChemrytIQ
1000339-33-2nonenonenoneC10H11NClF199.6550.76 ChemrytIQ
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
1000-86-8nonenonenoneC7H1296.1723-10.397 ChemrytIQ
10-31-2001nonenonenoneC21H28NO6P421.428-10.542 ChemrytIQ
100-49-2nonenonenoneC7H14O114.187-9.3679 ChemrytIQ
100-17-4nonenonenoneC7H7NO3153.137-7.2945 ChemrytIQ
1000018-07-4nonenonenoneC14H13N3O239.2771.9531 ChemrytIQ
100-39-0highhighnoneC7H7Br171.037-7.8241 ChemrytIQ
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866 ChemrytIQ
1000-77-7highhighnoneHCl.C6H15NO6S2261.3181.5333 ChemrytIQ
100017-22-9highhighhighC5H8O2100.117-8.1063 ChemrytIQ
1000269-65-7nonenonenoneC12H19N3205.3040.25629 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749 ChemrytIQ
100-53-8nonehighhighC7H8S124.207-6.3177 ChemrytIQ
100-83-4highnonelowC7H6O2122.123-4.1407 ChemrytIQ
1000-50-6nonenonehighC6H15ClSi150.724-84.768 ChemrytIQ
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100005-12-7nonenonelowC11H10NCl191.662.2675 ChemrytIQ
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100-51-6highhighhighC7H8O108.14-2.2456 ChemrytIQ
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10001-51-1nonenonenoneC9H18N2O170.2555.9677 ChemrytIQ
10000-42-7highhighlowC20H18N4O3362.388-5.7793 ChemrytIQ
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
100004-93-1nonehighnoneC16H11NO2249.268-1.5746 ChemrytIQ
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856 ChemrytIQ
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