Chemical Properties of 3-Mercapto-2-pentanone, PFBO # 1

3-Mercapto-2-pentanone, PFBO # 1

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InChI
InChI=1S/C12H12F5NOS/c1-3-7(20)5(2)18-19-4-6-8(13)10(15)12(17)11(16)9(6)14/h7,20H,3-4H2,1-2H3
InChI Key
NTTWHZVTGURFAX-UHFFFAOYSA-N
Formula
C12H12F5NOS
SMILES
CCC(S)C(C)=NOCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
313.29
Sources

Physical Properties

Property Value Unit Source
Δfgas -1118.97 kJ/mol Joback Calculated Property
Δvap 55.96 kJ/mol Joback Calculated Property
logPoct/wat 3.98 Crippen Calculated Property
Pc 1759.49 kPa Joback Calculated Property
Tboil 683.29 K Joback Calculated Property
Tc 880.39 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 5
-N= 1
=C< (ring) 6
-CH2- 2
=C< 1
-SH 1
-CH3 2

Similar Compounds

3-Mercapto-2-pentanone, PFBO # 2. 3-Mercapto-2-butanone, PFBO # 1. 3-Mercapto-3-methyl-2-pentanone, PFBO # 1. 2-Butanone, 3-methylthio, PFBO # 1. 2-Butanone, 3-methylthio, PFBO # 2. Acetone, methylthio, PFBO # 1. Acetone, methylthio, PFBO # 2. 2-Butanone, PFBO # 1. 2-Nonanone, PFBO # 1. 2-Nonanone, PFBO # 2. 2-Octanone, PFBO # 1. Butanal, PFBO # 1. Pentanal, PFBO # 1. n-Pentanal oxime, O-[(pentafluorophenyl)methyl]-. 2-Butanone, 4-methylthio, PFBO # 2.

Find more compounds similar to 3-Mercapto-2-pentanone, PFBO # 1.

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